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Sample records for high band-gap photovoltaic

  1. Ultrathin high band gap solar cells with improved efficiencies from the world's oldest photovoltaic material.

    Science.gov (United States)

    Todorov, Teodor K; Singh, Saurabh; Bishop, Douglas M; Gunawan, Oki; Lee, Yun Seog; Gershon, Talia S; Brew, Kevin W; Antunez, Priscilla D; Haight, Richard

    2017-09-25

    Selenium was used in the first solid state solar cell in 1883 and gave early insights into the photoelectric effect that inspired Einstein's Nobel Prize work; however, the latest efficiency milestone of 5.0% was more than 30 years ago. The recent surge of interest towards high-band gap absorbers for tandem applications led us to reconsider this attractive 1.95 eV material. Here, we show completely redesigned selenium devices with improved back and front interfaces optimized through combinatorial studies and demonstrate record open-circuit voltage (V OC ) of 970 mV and efficiency of 6.5% under 1 Sun. In addition, Se devices are air-stable, non-toxic, and extremely simple to fabricate. The absorber layer is only 100 nm thick, and can be processed at 200 ˚C, allowing temperature compatibility with most bottom substrates or sub-cells. We analyze device limitations and find significant potential for further improvement making selenium an attractive high-band-gap absorber for multi-junction device applications.Wide band gap semiconductors are important for the development of tandem photovoltaics. By introducing buffer layers at the front and rear side of solar cells based on selenium; Todorov et al., reduce interface recombination losses to achieve photoconversion efficiencies of 6.5%.

  2. Low band gap polymers for organic photovoltaics

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Krebs, Frederik C

    2007-01-01

    Low band gap polymer materials and their application in organic photovoltaics (OPV) are reviewed. We detail the synthetic approaches to low band gap polymer materials starting from the early methodologies employing quinoid homopolymer structures to the current state of the art that relies...

  3. Final Report: Rational Design of Wide Band Gap Buffer Layers for High-Efficiency Thin-Film Photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Lordi, Vincenzo [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-09-30

    The main objective of this project is to enable rational design of wide band gap buffer layer materials for CIGS thin-film PV by building understanding of the correlation of atomic-scale defects in the buffer layer and at the buffer/absorber interface with device electrical properties. Optimized wide band gap buffers are needed to reduce efficiency loss from parasitic absorption in the buffer. The approach uses first-principles materials simulations coupled with nanoscale analytical electron microscopy as well as device electrical characterization. Materials and devices are produced by an industrial partner in a manufacturing line to maximize relevance, with the goal of enabling R&D of new buffer layer compositions or deposition processes to push device efficiencies above 21%. Cadmium sulfide (CdS) is the reference material for analysis, as the prototypical high-performing buffer material.

  4. High-Efficiency Isolated Photovoltaic Microinverter Using Wide-Band Gap Switches for Standalone and Grid-Tied Applications

    Directory of Open Access Journals (Sweden)

    Yu-Chen Liu

    2018-03-01

    Full Text Available An isolated photovoltaic micro-inverter for standalone and grid-tied applications is designed and implemented to achieve high efficiency. System configuration and design considerations, including the proposed active-clamp forward-flyback resonant converter for the DC-DC stage and a dual-frequency full-bridge inverter for the DC-AC stage, are analyzed and discussed. A prototype microinverter system is built and tested. Experimental results verify the feasibility of the proposed system, which achieves 95% power conversion efficiency at full load.

  5. Novel high band gap pendant-borylated carbazole polymers with deep HOMO levels through direct +N=B- interaction for organic photovoltaics

    DEFF Research Database (Denmark)

    Brandt, Rasmus G.; Sveegaard, Steffen G.; Xiao, Manjun

    2016-01-01

    In this communication, we investigate the direct and still conjugated intramolecular +N=B- interactions in novel high band gap borylated carbazole containing polymers, namely, poly(3,6-(N-di(2,4,6-trimethyl)-phenylboryl-carbazole)-alt- 4,8-di(5-(2-ethylhexyl)thiophene-2-yl)benzo[1,2-b: 4,5-b...

  6. A study of potential high band-gap photovoltaic materials for a two step photon intermediate technique in fission energy conversion. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Prelas, M.A.

    1996-01-24

    This report describes progress made to develop a high bandgap photovoltaic materials for direct conversion to electricity of excimer radiation produced by fission energy pumped laser. This report summarizes the major achievements in sections. The first section covers n-type diamond. The second section covers forced diffusion. The third section covers radiation effects. The fourth section covers progress in Schottky barrier and heterojunction photovoltaic cells. The fifth section covers cell and reactor development.

  7. Large-area photovoltaics based on low band gap copolymers of thiophene and benzothiadiazole or benzo-bis(thiadiazole)

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Krebs, Frederik C

    2007-01-01

    to give poor devices when employed in bulk heterojunctions with PCBM. This was linked to a poor alignment of the energy levels in 2 with that of the electrodes and PCBM, showing that the requirement for a control of the positions of the energy levels becomes increasingly important as the band gap......Large-area solar cells (active area = 3 and 10cm(2)) were prepared with low band gap polymers based on thiophene and benzothiadiazole (1) or thiophene and benzo-bis(thiadiazole) (2). The band gaps of the polymers were 1.65 and 0.67 eV, respectively. The best photovoltaic performance was obtained...... for the device ITO/PEDOT/1:PCBM (1:2)/Al with an active area of 3 cm(2). The efficiency of the device was 0.62%. This is a high efficiency for a low band gap polymer in a large-area organic solar cell and thus polymer I is a very promising material for organic solar cells. The devices based on 2 were found...

  8. High Photoluminescence Quantum Yield in Band Gap Tunable Bromide Containing Mixed Halide Perovskites.

    Science.gov (United States)

    Sutter-Fella, Carolin M; Li, Yanbo; Amani, Matin; Ager, Joel W; Toma, Francesca M; Yablonovitch, Eli; Sharp, Ian D; Javey, Ali

    2016-01-13

    Hybrid organic-inorganic halide perovskite based semiconductor materials are attractive for use in a wide range of optoelectronic devices because they combine the advantages of suitable optoelectronic attributes and simultaneously low-cost solution processability. Here, we present a two-step low-pressure vapor-assisted solution process to grow high quality homogeneous CH3NH3PbI3-xBrx perovskite films over the full band gap range of 1.6-2.3 eV. Photoluminescence light-in versus light-out characterization techniques are used to provide new insights into the optoelectronic properties of Br-containing hybrid organic-inorganic perovskites as a function of optical carrier injection by employing pump-powers over a 6 orders of magnitude dynamic range. The internal luminescence quantum yield of wide band gap perovskites reaches impressive values up to 30%. This high quantum yield translates into substantial quasi-Fermi level splitting and high "luminescence or optically implied" open-circuit voltage. Most importantly, both attributes, high internal quantum yield and high optically implied open-circuit voltage, are demonstrated over the entire band gap range (1.6 eV ≤ Eg ≤ 2.3 eV). These results establish the versatility of Br-containing perovskite semiconductors for a variety of applications and especially for the use as high-quality top cell in tandem photovoltaic devices in combination with industry dominant Si bottom cells.

  9. New low band-gap alternating polyfluorene derivatives for photovoltaic cells

    International Nuclear Information System (INIS)

    Lee, Sang Kyu; Cho, Nam Sung; Kwak, Joong Hwan; Lim, Koeng Su; Shim, Hong-Ku; Hwang, Do-Hoon; Brabec, Christoph J.

    2006-01-01

    Bulk heterojunction polymer photovoltaic cells (PPVCs) were fabricated by using low energy band-gap conjugated polymers (PFR3-S and PFR4-S) as electron donors and C 60 as an electron acceptor material. The characterization of the structures of the PFR3-S : C 60 and PFR4-S : C 60 mixtures were carried out with atomic force microscopy (AFM), and the PPVCs were characterized with current density-voltage (J-V) and spectral photocurrent measurements. The PFR3-S : C 60 (1 : 1) and PFR4-S : C 60 (1 : 1) devices were constructed in ITO/PEDOT : PSS (100 nm)/polymer : C 60 (100 nm)/Ca (50 nm)/Al (100 nm) configurations. In the PFR4-S : C 60 PPVC, the spectral response was found to be extended to 700 nm, and exhibited an improved spectral match with solar radiation. The PFR3-S : C 60 (1 : 1) and PFR4-S : C 60 (1 : 1) devices were found to have higher energy conversion efficiencies and better short circuit current densities (J sc ), 3.18 mA/cm 2 and 3.09 mA/cm 2 , respectively, than a MEH-PPV : C 60 (1 : 1) device. The open-circuit voltages (V oc ) of the PFR3-S and PFR4-S devices were found to be 0.85 and 0.81 V, respectively. The energy conversion efficiencies (η e ) of the PFR3-S : C 60 (1 : 1) and PFR4-S : C 60 (1 : 1) devices under AM 1.5 solar illumination (100 mW/cm 2 ) were found to be as high as 0.98% and 1.02%, respectively

  10. High-power picosecond pulse delivery through hollow core photonic band gap fibers

    DEFF Research Database (Denmark)

    Michieletto, Mattia; Johansen, Mette Marie; Lyngsø, Jens Kristian

    2015-01-01

    We demonstrated robust and bend insensitive fiber delivery of high power pulsed laser with diffraction limited beam quality for two different kind of hollow core photonic band gap fibers......We demonstrated robust and bend insensitive fiber delivery of high power pulsed laser with diffraction limited beam quality for two different kind of hollow core photonic band gap fibers...

  11. Low Band Gap Polymers for Roll-to-Roll Coated Organic Photovoltaics – Design, Synthesis and Characterization

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Hagemann, Ole; Jørgensen, Mikkel

    2011-01-01

    In this paper we present the design and synthesis of 25 new low band gap polymers. The polymers were characterized by UV-vis spectroscopy which showed optical band gaps of 2.0–0.9 eV. The polymers which were soluble enough were applied in organic photovoltaics, both small area devices with a spin...... coated active layer and in large area modules where all layers including the active layer were either roll-to-roll coated or printed. These experiments showed that the design of polymers compatible with roll-toroll coating is not straightforward and that there are various issues such as donor...

  12. Molecular design for improved photovoltaic efficiency: band gap and absorption coefficient engineering

    KAUST Repository

    Mondal, Rajib; Ko, Sangwon; Norton, Joseph E.; Miyaki, Nobuyuki; Becerril, Hector A.; Verploegen, Eric; Toney, Michael F.; Bré das, Jean-Luc; McGehee, Michael D.; Bao, Zhenan

    2009-01-01

    Removing the adjacent thiophene groups around the acceptor core in low band gap polymers significantly enhances solar cell efficiency through increasing the optical absorption and raising the ionization potential of the polymer. © 2009 The Royal Society of Chemistry.

  13. Oligothiophene-Indandione-Linked Narrow-Band Gap Molecules: Impact of π-Conjugated Chain Length on Photovoltaic Performance.

    Science.gov (United States)

    Komiyama, Hideaki; To, Takahiro; Furukawa, Seiichi; Hidaka, Yu; Shin, Woong; Ichikawa, Takahiro; Arai, Ryota; Yasuda, Takuma

    2018-04-04

    Solution-processed organic solar cells (OSCs) based on narrow-band gap small molecules hold great promise as next-generation energy-converting devices. In this paper, we focus on a family of A-π-D-π-A-type small molecules, namely, BDT- nT-ID ( n = 1-4) oligomers, consisting of benzo[1,2- b:4,5- b']dithiophene (BDT) as the central electron-donating (D) core, 1,3-indandione (ID) as the terminal electron-accepting (A) units, and two regioregular oligo(3-hexylthiophene)s ( nT) with different numbers of thiophene rings as the π-bridging units, and elucidate their structure-property-function relationships. The effects of the length of the π-bridging nT units on the optical absorption, thermal behavior, morphology, hole mobility, and OSC performance were systematically investigated. All oligomers exhibited broad and intense visible photoabsorption in the 400-700 nm range. The photovoltaic performances of bulk heterojunction OSCs based on BDT- nT-IDs as donors and a fullerene derivative as an acceptor were studied. Among these oligomers, BDT-2T-ID, incorporating bithiophene as the π-bridging units, showed better photovoltaic performance with a maximum power conversion efficiency as high as 6.9% under AM 1.5G illumination without using solvent additives or postdeposition treatments. These favorable properties originated from the well-developed interpenetrating network morphology of BDT-2T-ID, with larger domain sizes in the photoactive layer. Even though all oligomers have the same A-D-A main backbone, structural modulation of the π-bridging nT length was found to impact their self-organization and nanostructure formation in the solid state, as well as the corresponding OSC device performance.

  14. Tuning the energy band gap of ternary alloyed Cd1-xPbxS quantum dots for photovoltaic applications

    Science.gov (United States)

    Badawi, Ali

    2016-02-01

    Tuning the energy band gap of ternary alloyed Cd1-xPbxS (x: 0, 0.33, 0.5, 0.67 and 1) quantum dots (QDs) for photovoltaic applications is studied. Alloyed Cd1-xPbxS QDs were adsorbed onto TiO2 nanoparticles (NPs) using ssuccessive ionic layer adsorption and reaction (SILAR) methode. EDX measurements ensure the success adsorption of alloyed Cd1-xPbxS QDs onto the TiO2 electrode. At 100 mW/cm2 (AM 1.5) sun illumination, the photovoltaic performance of alloyed Cd1-xPbxS QDs sensitized solar cells (QDSSCs) was measured. The maximum values of Jsc (1.92 mA/cm2) and η (0.36%) for the alloyed Cd1-xPbxS QDSSCs were obtained when the molar ratio of Cd/Pb is 0.33/0.67. the open circuit voltage (Voc) is equal 0.61 ± 0.01 V for all alloyed Cd1-xPbxS QDSSCs. The electron back recombination rates decrease considerably for alloyed Cd1-xPbxS QDSSCs as x value increases, peaking at 0.67. The electron lifetime (τ) for Cd0.33Pb0.67S QDSSCs is one order of magnitude larger than that of the other alloyed Cd1-xPbxS QDSSCs with different x value. Under ON-OFF cycles to solar illumination, the open circuit voltage decay measurements show the high sensitivity and reproducibility of alloyed Cd1-xPbxS QDSSCs.

  15. High-Pressure Band-Gap Engineering in Lead-Free Cs 2 AgBiBr 6 Double Perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Li, Qian [Department of Chemistry, Southern University of Science and Technology, SUSTech, Shenzhen Guangdong 518055 P.R. China; College of Chemistry, Nankai University, Tianjin 300071 P.R. China; Wang, Yonggang [High Pressure Synergetic Consortium, HPSynC, Geophysical Laboratory, Carnegie Institution of Washington, Argonne IL 60439 USA; Pan, Weicheng [Wuhan National Laboratory for Optoelectronics, WNLO and School of Optical and Electronic Information, Huazhong University of Science and Technology, HUST, Wuhan 430074 P.R. China; Yang, Wenge [High Pressure Synergetic Consortium, HPSynC, Geophysical Laboratory, Carnegie Institution of Washington, Argonne IL 60439 USA; Zou, Bo [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 P.R. China; Tang, Jiang [Wuhan National Laboratory for Optoelectronics, WNLO and School of Optical and Electronic Information, Huazhong University of Science and Technology, HUST, Wuhan 430074 P.R. China; Quan, Zewei [Department of Chemistry, Southern University of Science and Technology, SUSTech, Shenzhen Guangdong 518055 P.R. China

    2017-11-15

    Novel inorganic lead-free double perovskites with improved stability are regarded as alternatives to state-of-art hybrid lead halide perovskites in photovoltaic devices. The recently discovered Cs2AgBiBr6 double perovskite exhibits attractive optical and electronic features, making it promising for various optoelectronic applications. However, its practical performance is hampered by the large band gap. In this work, remarkable band gap narrowing of Cs2AgBiBr6 is, for the first time, achieved on inorganic photovoltaic double perovskites through high pressure treatments. Moreover, the narrowed band gap is partially retainable after releasing pressure, promoting its optoelectronic applications. This work not only provides novel insights into the structure–property relationship in lead-free double perovskites, but also offers new strategies for further development of advanced perovskite devices.

  16. High-pressure band-gap engineering in lead-free Cs{sub 2}AgBiBr{sub 6} double perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Li, Qian [Department of Chemistry, Southern University of Science and Technology, SUSTech, Shenzhen, Guangdong (China); College of Chemistry, Nankai University, Tianjin (China); Wang, Yonggang; Yang, Wenge [High Pressure Synergetic Consortium, HPSynC, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, IL (United States); Pan, Weicheng; Tang, Jiang [Wuhan National Laboratory for Optoelectronics, WNLO and School of Optical and Electronic Information, Huazhong University of Science and Technology, HUST, Wuhan (China); Zou, Bo [State Key Laboratory of Superhard Materials, Jilin University, Changchun (China); Quan, Zewei [Department of Chemistry, Southern University of Science and Technology, SUSTech, Shenzhen, Guangdong (China)

    2017-12-11

    Novel inorganic lead-free double perovskites with improved stability are regarded as alternatives to state-of-art hybrid lead halide perovskites in photovoltaic devices. The recently discovered Cs{sub 2}AgBiBr{sub 6} double perovskite exhibits attractive optical and electronic features, making it promising for various optoelectronic applications. However, its practical performance is hampered by the large band gap. In this work, remarkable band gap narrowing of Cs{sub 2}AgBiBr{sub 6} is, for the first time, achieved on inorganic photovoltaic double perovskites through high pressure treatments. Moreover, the narrowed band gap is partially retainable after releasing pressure, promoting its optoelectronic applications. This work not only provides novel insights into the structure-property relationship in lead-free double perovskites, but also offers new strategies for further development of advanced perovskite devices. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Photochemical stability and photovoltaic performance of low-band gap polymers based on dithiophene with different bridging atoms

    DEFF Research Database (Denmark)

    Helgesen, Martin; Sørensen, Thomas J.; Manceau, Matthieu

    2011-01-01

    New low-band gap polymers based on dithienylbenzothiadiazole (DBT) and dithiophene with different bridging atoms have been synthesized and explored in a comparative study on the photochemical stability and photovoltaic performance. Two differently modified DBT units were exploited, namely 5,6- bis......(tetradecyloxy)-4,7-di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole (DBT1) and 4,7-bis(4-dodecylthiophen-2-yl)benzo[c][1,2,5]thiadiazole (DBT2). In thin films the polymers had optical band gaps in the range of 1.51-1.70 eV where the DBT2 based polymers are red shifted 61-81 nm compared to the DBT1 based polymers...... indicating greater interchain packing when the side chains are situated on the thienyl groups compared to on the benzothiadiazole unit. The best photovoltaic devices based on blends of polymer and [6,6]-phenyl C61 butyric acid methyl ester (PCBM) were prepared with polymers based on the DBT1 unit giving...

  18. High-power picosecond pulse delivery through hollow core photonic band gap fibers

    DEFF Research Database (Denmark)

    Michieletto, Mattia; Johansen, Mette Marie; Lyngsø, Jens Kristian

    2016-01-01

    We demonstrated robust and bend insensitive fiber delivery of high power laser with diffraction limited beam quality for two different kinds of hollow core band gap fibers. The light source for this experiment consists of ytterbium-doped double clad fiber aeroGAIN-ROD-PM85 in a high power amplifier...

  19. High performance as-grown and annealed high band gap tunnel junctions: Te behavior at the interface

    Energy Technology Data Exchange (ETDEWEB)

    Bedair, S. M., E-mail: bedair@ncsu.edu; Harmon, Jeffrey L.; Carlin, C. Zachary; Hashem Sayed, Islam E.; Colter, P. C. [Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2016-05-16

    The performance of n{sup +}-InGaP(Te)/p{sup +}-AlGaAs(C) high band gap tunnel junctions (TJ) is critical for achieving high efficiency in multijunction photovoltaics. Several limitations for as grown and annealed TJ can be attributed to the Te doping of InGaP and its behavior at the junction interface. Te atoms in InGaP tend to get attached at step edges, resulting in a Te memory effect. In this work, we use the peak tunneling current (J{sub pk}) in this TJ as a diagnostic tool to study the behavior of the Te dopant at the TJ interface. Additionally, we used our understanding of Te behavior at the interface, guided by device modeling, to modify the Te source shut-off procedure and the growth rate. These modifications lead to a record performance for both the as-grown (2000 A/cm{sup 2}) and annealed (1000 A/cm{sup 2}) high band gap tunnel junction.

  20. A comparative study of solution-processed low- and high-band-gap chalcopyrite thin-film solar cells

    International Nuclear Information System (INIS)

    Park, Se Jin; Moon, Sung Hwan; Min, Byoung Koun; Cho, Yunae; Kim, Ji Eun; Kim, Dong-Wook; Lee, Doh-Kwon; Gwak, Jihye; Kim, Jihyun

    2014-01-01

    Low-cost and printable chalcopyrite thin-film solar cells were fabricated by a precursor solution-based coating method with a multi-step heat-treatment process (oxidation, sulfurization, and selenization). The high-band-gap (1.57 eV) Cu(In x Ga 1−x )S 2 (CIGS) solar cell showed a high open-circuit voltage of 787 mV, whereas the low-band-gap (1.12 eV) Cu(In x Ga 1−x )(S 1−y Se y ) 2 (CIGSSe) cell exhibited a high short-circuit current density of 32.6 mA cm −2 . The energy conversion efficiencies were 8.28% for CIGS and 8.81% for CIGSSe under standard irradiation conditions. Despite similar efficiencies, the two samples showed notable differences in grain size, surface morphology, and interfacial properties. Low-temperature transport and admittance characteristics of the samples clearly revealed how their structural differences influenced their photovoltaic and electrical properties. Such analyses provide insight into the enhanced solar cell performance of the solution-processed chalcopyrite thin films. (paper)

  1. Fluorene-based narrow-band-gap copolymers for red light- emitting diodes and bulk heterojunction photovoltaic cells

    Institute of Scientific and Technical Information of China (English)

    Mingliang SUN; Li WANG; Yangjun XIA; Bin DU; Ransheng LIU; Yong CAO

    2008-01-01

    A series of narrow band-gap conjugated copo-lymers (PFO-DDQ) derived from 9,9-dioctylfluorene (DOF) and 2,3-dimethyl-5,8-dithien-2-yl-quinoxalines (DDQ) is prepaid by the palladium-catalyzed Suzuki coupling reaction with the molar feed ratio of DDQ at around 1%,5%,15%,30% and 50%,respectively.The obtained polymers are readily soluble in common organic solvents.The solutions and the thin solid films of the copolymers absorb light from 300-590 nm with two absorbance.peaks at around 380 and 490 nm.The intens-ity of 490 nm peak increases with the increasing DDQ content in the polymers.Efficient energy transfer due to exciton trapping on narrow-band-gap DDQ sites has been observed.The PL emission consists exclusively of DDQ unit emission at around 591 643 nm depending on the DDQ content in solid film.The EL emission peaks are red-shifted from 580 nm for PFO-DDQ1 to 635 nm for PFO-DDQ50.The highest external quantum efficiency achieved with the device configuration ITO/PEDOT/ PVK/PFO-DDQt5/Ba/A1 is 1.33% with a luminous effi-ciency 1.54 cd/A.Bulk heterojunction photovoltaic cells fabricated from composite films of PFO-DDQ30 copoly-mer and [6,6]-phenyl C61 butyric acid methyl ester (PCBM) as electron donor and electron acceptor,respect-ively in device configuration:ITO/PEDOT:PSS/PFO-DDQ30:PCBM/PFPNBr/Al shows power conversion effi-ciencies of 1.18% with open-circuit voltage (Voc) of 0.90 V and short-circuit current density (Jsc) of 2.66 mA/cm2 under an AM1.5 solar simulator (100 mW/cm2).The photocurrent response wavelengths of the PVCs based on PFO-DDQ30/PCBM blends covers 300-700 nm.This indicates that these kinds of low band-gap polymers are promising candidates for polymeric solar cells and red light-emitting diodes.

  2. Anthracene-containing wide-band-gap conjugated polymers for high-open-circuit-voltage polymer solar cells.

    Science.gov (United States)

    Gong, Xue; Li, Cuihong; Lu, Zhen; Li, Guangwu; Mei, Qiang; Fang, Tao; Bo, Zhishan

    2013-07-25

    The synthesis, characterization, and photophysical and photovoltaic properties of two anthracene-containing wide-band-gap donor and acceptor (D-A) alternating conjugated polymers (P1 and P2) are described. These two polymers absorb in the range of 300-600 nm with a band gap of about 2.12 eV. Polymer solar cells with P1:PC71 BM as the active layer demonstrate a power conversion efficiency (PCE) of 2.23% with a high Voc of 0.96 V, a Jsc of 4.4 mA cm(-2) , and a comparable fill factor (FF) of 0.53 under simulated solar illumination of AM 1.5 G (100 mW cm(-2) ). In addition, P2:PC71 BM blend-based solar cells exhibit a PCE of 1.42% with a comparable Voc of 0.89 V, a Jsc of 3.0 mA cm(-2) , and an FF of 0.53. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. High Photoluminescence Quantum Yield in Band Gap Tunable Bromide Containing Mixed Halide Perovskites

    OpenAIRE

    Carolin M. Sutter-Fella Yanbo Li Matin Amani Joel W. Ager III Francesca M. Toma; Eli Yablonovitch Ian D. Sharp and Ali Javey

    2016-01-01

    Hybrid organic–inorganic halide perovskite based semiconductor materials are attractive for use in a wide range of optoelectronic devices because they combine the advantages of suitable optoelectronic attributes and simultaneously low cost solution processability. Here we present a two step low pressure vapor assisted solution process to grow high quality homogeneous CH3NH3PbI3–xBrx perovskite films over the full band gap range of 1.6–2.3 eV. Photoluminescence light in versus light out charac...

  4. Small band gap copolymers based on furan and diketopyrrolopyrrole for field-effect transistors and photovoltaic cells

    NARCIS (Netherlands)

    Bijleveld, Johan C.; Karsten, Bram P.; Mathijssen, Simon G.J.; Wienk, Martijn M.; Leeuw, Dago M. de; Janssen, René A.J.

    2011-01-01

    Four small band gap semiconducting copolymers based on electron deficient diketopyrrolopyrrole alternating with electron rich trimers containing furan and benzene or thiophene have been synthesized via Suzuki polymerization. The polymers have optical band gaps between 1.4 and 1.6 eV, optimized for

  5. High power experimental studies of hybrid photonic band gap accelerator structures

    Directory of Open Access Journals (Sweden)

    JieXi Zhang

    2016-08-01

    Full Text Available This paper reports the first high power tests of hybrid photonic band gap (PBG accelerator structures. Three hybrid PBG (HPBG structures were designed, built and tested at 17.14 GHz. Each structure had a triangular lattice array with 60 inner sapphire rods and 24 outer copper rods sandwiched between copper disks. The dielectric PBG band gap map allows the unique feature of overmoded operation in a TM_{02} mode, with suppression of both lower order modes, such as the TM_{11} mode, as well as higher order modes. The use of sapphire rods, which have negligible dielectric loss, required inclusion of the dielectric birefringence in the design. The three structures were designed to sequentially reduce the peak surface electric field. Simulations showed relatively high surface fields at the triple point as well as in any gaps between components in the clamped assembly. The third structure used sapphire rods with small pin extensions at each end and obtained the highest gradient of 19  MV/m, corresponding to a surface electric field of 78  MV/m, with a breakdown probability of 5×10^{-1} per pulse per meter for a 100-ns input power pulse. Operation at a gradient above 20  MV/m led to runaway breakdowns with extensive light emission and eventual damage. For all three structures, multipactor light emission was observed at gradients well below the breakdown threshold. This research indicated that multipactor triggered at the triple point limited the operational gradient of the hybrid structure.

  6. Chalcogenophene comonomer comparison in small band gap diketopyrrolopyrrole-based conjugated polymers for high-performing field-effect transistors and organic solar cells

    KAUST Repository

    Ashraf, Raja Shahid

    2015-01-28

    The design, synthesis, and characterization of a series of diketopyrrolopyrrole-based copolymers with different chalcogenophene comonomers (thiophene, selenophene, and tellurophene) for use in field-effect transistors and organic photovoltaic devices are reported. The effect of the heteroatom substitution on the optical, electrochemical, and photovoltaic properties and charge carrier mobilities of these polymers is discussed. The results indicate that by increasing the size of the chalcogen atom (S < Se < Te), polymer band gaps are narrowed mainly due to LUMO energy level stabilization. In addition, the larger heteroatomic size also increases intermolecular heteroatom-heteroatom interactions facilitating the formation of polymer aggregates leading to enhanced field-effect mobilities of 1.6 cm2/(V s). Bulk heterojunction solar cells based on the chalcogenophene polymer series blended with fullerene derivatives show good photovoltaic properties, with power conversion efficiencies ranging from 7.1-8.8%. A high photoresponse in the near-infrared (NIR) region with excellent photocurrents above 20 mA cm-2 was achieved for all polymers, making these highly efficient low band gap polymers promising candidates for use in tandem solar cells. (Graph Presented).

  7. Direct band gap measurement of Cu(In,Ga)(Se,S)2 thin films using high-resolution reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Heo, Sung; Lee, Hyung-Ik; Park, Jong-Bong; Ko, Dong-Su; Chung, JaeGwan; Kim, KiHong; Kim, Seong Heon; Yun, Dong-Jin; Ham, YongNam; Park, Gyeong Su; Song, Taewon; Lee, Dongho; Nam, Junggyu; Kang, Hee Jae; Choi, Pyung-Ho; Choi, Byoung-Deog

    2015-01-01

    To investigate the band gap profile of Cu(In 1−x ,Ga x )(Se 1−y S y ) 2 of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respect to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth

  8. Direct band gap measurement of Cu(In,Ga)(Se,S){sub 2} thin films using high-resolution reflection electron energy loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Heo, Sung [Analytical Engineering Group, Samsung Advanced Institute of Technology, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-803 (Korea, Republic of); College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746 (Korea, Republic of); Lee, Hyung-Ik; Park, Jong-Bong; Ko, Dong-Su; Chung, JaeGwan; Kim, KiHong; Kim, Seong Heon; Yun, Dong-Jin; Ham, YongNam; Park, Gyeong Su [Analytical Engineering Group, Samsung Advanced Institute of Technology, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-803 (Korea, Republic of); Song, Taewon [Energy lab, Samsung Advanced Institute of Technology, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-803 (Korea, Republic of); Lee, Dongho, E-mail: dhlee0333@gmail.com; Nam, Junggyu [PV Development Team, Energy Solution Business Division, Samsung SDI, 467 Beonyeong-ro, Cheonan-si, Chungcheongnam-do 331-330 (Korea, Republic of); Kang, Hee Jae [Department of Physics, Chungbuk National University, Gaesin-dong, Heungdeok-gu, Cheongju, 361-763 (Korea, Republic of); Choi, Pyung-Ho; Choi, Byoung-Deog, E-mail: bdchoi@skku.edu [College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746 (Korea, Republic of)

    2015-06-29

    To investigate the band gap profile of Cu(In{sub 1−x},Ga{sub x})(Se{sub 1−y}S{sub y}){sub 2} of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respect to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth.

  9. High power breakdown testing of a photonic band-gap accelerator structure with elliptical rods

    Directory of Open Access Journals (Sweden)

    Brian J. Munroe

    2013-01-01

    Full Text Available An improved single-cell photonic band-gap (PBG structure with an inner row of elliptical rods (PBG-E was tested with high power at a 60 Hz repetition rate at X-band (11.424 GHz, achieving a gradient of 128  MV/m at a breakdown probability of 3.6×10^{-3} per pulse per meter at a pulse length of 150 ns. The tested standing-wave structure was a single high-gradient cell with an inner row of elliptical rods and an outer row of round rods; the elliptical rods reduce the peak surface magnetic field by 20% and reduce the temperature rise of the rods during the pulse by several tens of degrees, while maintaining good damping and suppression of high order modes. When compared with a single-cell standing-wave undamped disk-loaded waveguide structure with the same iris geometry under test at the same conditions, the PBG-E structure yielded the same breakdown rate within measurement error. The PBG-E structure showed a greatly reduced breakdown rate compared with earlier tests of a PBG structure with round rods, presumably due to the reduced magnetic fields at the elliptical rods vs the fields at the round rods, as well as use of an improved testing methodology. A post-testing autopsy of the PBG-E structure showed some damage on the surfaces exposed to the highest surface magnetic and electric fields. Despite these changes in surface appearance, no significant change in the breakdown rate was observed in testing. These results demonstrate that PBG structures, when designed with reduced surface magnetic fields and operated to avoid extremely high pulsed heating, can operate at breakdown probabilities comparable to undamped disk-loaded waveguide structures and are thus viable for high-gradient accelerator applications.

  10. Planar Circularly Symmetric Electromagnetic Band-Gap Antennas for Low Cost High Performance Integrated Antennas

    NARCIS (Netherlands)

    Neto, A.; LLombart, N.; Gerini, G.; Maagt, P.J. de

    2009-01-01

    The use of Planar Circularly Symmetric (PCS) Electromagnetic Band-Gap (EBG) structures for optimizing the performances of single antenna elements and arrays is been discussed. The key advantage of using this sort of super structures is that they are planar and thus very cheap to manufacture with

  11. Planar circularly symmetric Electromagnetic Band-Gap antennas for low cost high performance integrated antennas

    NARCIS (Netherlands)

    Neto, A.; Llombart, N.; Gerini, G.; de Maagt, P.J.I.

    2009-01-01

    The use of planar circularly symmetric (PCS) electromagnetic band-gap (EBG) structures for optimizing the performances of single antenna elements and arrays is been discussed. The key advantage of using this sort of super structures is that they are planar and thus very cheap to manufacture with

  12. Band gap tunning in BN-doped graphene systems with high carrier mobility

    KAUST Repository

    Kaloni, T. P.

    2014-02-17

    Using density functional theory, we present a comparative study of the electronic properties of BN-doped graphene monolayer, bilayer, trilayer, and multilayer systems. In addition, we address a superlattice of pristine and BN-doped graphene. Five doping levels between 12.5% and 75% are considered, for which we obtain band gaps from 0.02 eV to 2.43 eV. We demonstrate a low effective mass of the charge carriers.

  13. Trifluoromethyl-Substituted Large Band-Gap Polytriphenylamines for Polymer Solar Cells with High Open-Circuit Voltages

    Directory of Open Access Journals (Sweden)

    Shuwang Yi

    2018-01-01

    Full Text Available Two large band-gap polymers (PTPACF and PTPA2CF based on polytriphenylamine derivatives with the introduction of electron-withdrawing trifluoromethyl groups were designed and prepared by Suzuki polycondensation reaction. The chemical structures, thermal, optical and electrochemical properties were characterized in detail. From the UV-visible absorption spectra, the PTPACF and PTPA2CF showed the optical band gaps of 2.01 and 2.07 eV, respectively. The cyclic voltammetry (CV measurement displayed the deep highest occupied molecular orbital (HOMO energy levels of −5.33 and −5.38 eV for PTPACF and PTPA2CF, respectively. The hole mobilities, determined by field-effect transistor characterization, were 2.5 × 10−3 and 1.1 × 10−3 cm2 V−1 S−1 for PTPACF and PTPA2CF, respectively. The polymer solar cells (PSCs were tested under the conventional device structure of ITO/PEDOT:PSS/polymer:PC71BM/PFN/Al. All of the PSCs showed the high open circuit voltages (Vocs with the values approaching 1 V. The PTPACF and PTPA2CF based PSCs gave the power conversion efficiencies (PCEs of 3.24% and 2.40%, respectively. Hence, it is a reliable methodology to develop high-performance large band-gap polymer donors with high Vocs through the feasible side-chain modification.

  14. Lattice dynamics, phase transition, and tunable fundamental band gap of photovoltaic (K,Ba)(Ni,Nb)O3 -δ ceramics from spectral measurements and first-principles calculations

    Science.gov (United States)

    Li, Chuanqian; Wang, Fang; Sun, Yuyun; Jiang, Kai; Gong, Shijing; Hu, Zhigao; Zhou, Zhiyong; Dong, Xianlin; Chu, Junhao

    2018-03-01

    Ferroelectrics have long been recognized as one of the candidate class of materials for applications in photovoltaic devices. Recently, ferroelectric perovskite (K,Ba) (Ni,Nb) O3 -δ has been successfully synthesized and demonstrated to have a near-optimal band gap (1.39 eV), exhibiting good photovoltaic performance. However, the connection between the structural order-disorder transformation, electronic structure, bulk photovoltaic, and photocatalytic properties remains not well understood. Here, we investigate the phase transition evolutions of lead-free [KNbO3]1-x[BaNi1/2Nb1/2O3 -δ] x (KBNNO x , x =0 -0.5 ) ceramics via x-ray diffraction (XRD), Raman scattering, and computational evidences. The lattice dynamics and the origin of the successive rhombohedral→orthorhombic→tetragonal→cubic phase transitions have been systemically explored based on temperature-dependent XRD peak positions and phonon modes under different geometries. Moreover, the differences in the phase transition temperature and interior structure between the solid solution x =0.2 and the end member x =0 highlight local and nonlocal characteristics, which are helpful for understanding the photovoltaic mechanisms. Additionally, the robust photocatalytic decoloration effect on methylene blue can further confirm the photon-generated carrier behavior in the partly structural disordered orthorhombic phase. This identification of structural phases, combined with the ability to perform photocatalytic decoloration, give some insights on promising oxide applications as semiconducting ferroelectric absorbers and carrier-separating layers in photocatalytic or photovoltaic devices.

  15. High thermal stability solution-processable narrow-band gap molecular semiconductors.

    Science.gov (United States)

    Liu, Xiaofeng; Hsu, Ben B Y; Sun, Yanming; Mai, Cheng-Kang; Heeger, Alan J; Bazan, Guillermo C

    2014-11-19

    A series of narrow-band gap conjugated molecules with specific fluorine substitution patterns has been synthesized in order to study the effect of fluorination on bulk thermal stability. As the number of fluorine substituents on the backbone increase, one finds more thermally robust bulk structures both under inert and ambient conditions as well as an increase in phase transition temperatures in the solid state. When integrated into field-effect transistor devices, the molecule with the highest degree of fluorination shows a hole mobility of 0.15 cm(2)/V·s and a device thermal stability of >300 °C. Generally, the enhancement in thermal robustness of bulk organization and device performance correlates with the level of C-H for C-F substitution. These findings are relevant for the design of molecular semiconductors that can be introduced into optoelectronic devices to be operated under a wide range of conditions.

  16. Physical vapor deposition and analysis of copper indium aluminum diselenide thin films for high band gap solar cells

    Science.gov (United States)

    Haimbodi, Moses Warotua

    CuInSe2 films and related alloys have been used to fabricate the highest efficiency thin film solar cells. Alloying CuInSe2 with CuAlSe2 provides a way to engineer the band gap of the resulting films from 1 to 2.7 eV, thereby providing a pathway for improving device performance. In this work, thin films of CuIn1-xAlxSe 2 obtained by multi-source PVD were characterized and investigated for their potential use as high band gap solar cells. The band gap of the films was varied by controlling the [Al]/[Al + In] ratio. Deposition of these films with varying [Cu]/[Al + In] ratios and thickness (1--4 mum) was carried out at substrate temperatures from 350--530°C. CuIn1-xAlxSe2 based solar cells have been fabricated using the structure glass/Mo/CuIn1-xAl xSe2/CdS/ZnO/grid. The effect of varying the band gap on device performance will be discussed. The highest efficiency obtained in this work is 11% using a film with Eg ≈ 1.3 eV. For high Al content, x > 0.3, device-performance decreases mainly due to poor FF similar to that observed in CuIn1-xGaxSe2 devices and is attributed to poor minority carrier collection. For CuIn1-xAlxSe2 films with x = 1, data is analyzed and presented with respect to [Cu]/[Al] and Se to total metal flux ratio, RSe/RM. Phase analysis shows that the resulting films contain different phases that depend on these parameters. Several of these films also contain concentrations of oxygen varying from 12 to 60 at. % as the [Cu]/[Al] ratio decreases. For RSe/R M > 10, a new structure we label as CuxAlySe z was observed. The oxygen content in all of the films obtained under RSe/RM > 10 vary between 1--3 at. %. Based on the Cu-Se, Al-Se, Cu-Al binary and the Cu2Se-Al2Se 3 pseudo-binary phase diagrams, a phenomenological film growth model is presented showing that the film growth kinetics are controlled by the delivery of Se.

  17. A detailed analysis of the energy levels configuration existing in the band gap of supersaturated silicon with titanium for photovoltaic applications

    Energy Technology Data Exchange (ETDEWEB)

    Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L. [Dept. de Electricidad y Electrónica, Universidad de Valladolid, Paseo de Belén 15, 47011 Valladolid (Spain); Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G. [Dept. de Física Aplicada III (Electricidad y Electrónica), Univ. Complutense de Madrid, 28040 Madrid (Spain); CEI Campus Moncloa, UCM-UPM, 28040 Madrid (Spain); Olea, J. [CEI Campus Moncloa, UCM-UPM, 28040 Madrid (Spain); Instituto de Energía Solar, E.T.S.I. de Telecomunicación, Univ. Politécnica de Madrid, 28040 Madrid (Spain)

    2015-12-28

    The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (10{sup 13 }cm{sup -2} and 10{sup 14 }cm{sup -2}) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around E{sub c}-425 and E{sub c}-275 meV for implantation doses of 10{sup 13 }cm{sup −2} and 10{sup 14 }cm{sup −2}, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, E{sub c} and E{sub c}-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known

  18. Transport and stability studies on high band gap a-Si:H films ...

    Indian Academy of Sciences (India)

    which are responsible for light-induced degradation by strong Si–Si bonds. This results in ... The films reported have very high deposition rate (4–5 Å/s) compared to that reported .... Room temperature dark conductivity of the SC films ranges from ~10−10 to ... dilution increases σd considerably with smaller activation energy.

  19. High Efficiency Three-phase Power Factor Correction Rectifier using Wide Band-Gap Devices

    DEFF Research Database (Denmark)

    Kouchaki, Alireza

    Improving the conversion efficiency of power factor correction (PFC) rectifiers has become compelling due to their wide applications such as adjustable speed drives, uninterruptible power supplies (UPS), and battery chargers for electric vehicles (EVs). The attention to PFCs has increased even more....... Therefore, current controllers are also important to be investigated in this project. In this PhD research work, a comprehensive design of a two-level three-phase PFC rectifier using silicon-carbide (SiC) switches to achieve high efficiency is presented. The work is divided into two main parts: 1) Optimum...

  20. Band gap grading and photovoltaic performance of solution-processed Cu(In,Ga)S2 thin-film solar cells.

    Science.gov (United States)

    Sohn, So Hyeong; Han, Noh Soo; Park, Yong Jin; Park, Seung Min; An, Hee Sang; Kim, Dong-Wook; Min, Byoung Koun; Song, Jae Kyu

    2014-12-28

    The photophysical properties of CuInxGa1-xS2 (CIGS) thin films, prepared by solution-based coating methods, are investigated to understand the correlation between the optical properties of these films and the electrical characteristics of solar cells fabricated using these films. Photophysical properties, such as the depth-dependent band gap and carrier lifetime, turn out to be at play in determining the energy conversion efficiency of solar cells. A double grading of the band gap in CIGS films enhances solar cell efficiency, even when defect states disturb carrier collection by non-radiative decay. The combinational stacking of different density films leads to improved solar cell performance as well as efficient fabrication because a graded band gap and reduced shunt current increase carrier collection efficiency. The photodynamics of minority-carriers suggests that the suppression of defect states is a primary area of improvement in CIGS thin films prepared by solution-based methods.

  1. Large area modules based on low band gap polymers

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Krebs, Frederik C

    2010-01-01

    The use of three low band gap polymers in large area roll-to-roll coated modules is demonstrated. The polymers were prepared by a Stille cross coupling polymerization and all had a band gap around 1.6 eV. The polymers were first tested in small area organic photovoltaic devices which showed...

  2. Tuning the band gap of PbCrO{sub 4} through high-pressure: Evidence of wide-to-narrow semiconductor transitions

    Energy Technology Data Exchange (ETDEWEB)

    Errandonea, D., E-mail: daniel.errandonea@uv.es [Departamento de Física Aplicada-ICMUV, Universitat de València, MALTA ConsoliderTeam, C/Dr. Moliner 50, 46100 Burjassot (Spain); Bandiello, E.; Segura, A. [Departamento de Física Aplicada-ICMUV, Universitat de València, MALTA ConsoliderTeam, C/Dr. Moliner 50, 46100 Burjassot (Spain); Hamlin, J.J.; Maple, M.B. [Department of Physics, University of California, San Diego, La Jolla, CA 92093 (United States); Rodriguez-Hernandez, P.; Muñoz, A. [Departamento de Física Fundamental II, Instituto de Materiales y Nanotecnología, Universidad de La Laguna, MALTA ConsoliderTeam, La Laguna, 38205 Tenerife (Spain)

    2014-02-25

    Highlights: • Electronic and optical properties of PbCrO{sub 4} are studied under compression. • Band-gap collapses are observed and correlated with structural phase transitions. • PbCrO{sub 4} band-gap is reduced from 2.3 to 0.8 eV in a 20 GPa range. • PbCrO{sub 4} is an n-type semiconductor with donor levels associated to Frenkel defects. • A deep-to-shallow donor transformation at HP induces a large resistivity decrease. -- Abstract: The electronic transport properties and optical properties of lead(II) chromate (PbCrO{sub 4}) have been studied at high pressure by means of resistivity, Hall-effect, and optical-absorption measurements. Band-structure first-principle calculations have been also performed. We found that the low-pressure phase is a direct band-gap semiconductor (Eg = 2.3 eV) that shows a high resistivity. At 3.5 GPa, associated to a structural phase transition, a band-gap collapse takes place, becoming Eg = 1.8 eV. At the same pressure the resistivity suddenly decreases due to an increase of the carrier concentration. In the HP phase, PbCrO{sub 4} behaves as an n-type semiconductor, with a donor level probably associated to the formation of oxygen vacancies. At 15 GPa a second phase transition occurs to a phase with Eg = 1.2 eV. In this phase, the resistivity increases as pressure does probably due to the self-compensation of donor levels and the augmentation of the scattering of electrons with ionized impurities. In the three phases the band gap red shifts under compression. At 20 GPa, Eg reaches a value of 0.8 eV, behaving PbCrO{sub 4} as a narrow-gap semiconductor.

  3. Density functional theory design D-D-A type small molecule with 1.03 eV narrow band gap: effect of electron donor unit for organic photovoltaic solar cell

    Science.gov (United States)

    Sıdır, İsa

    2017-10-01

    Six new low-band-gap copolymers of donor-donor-acceptor (D-D-A) architecture have been designed using density functional theory and time-dependent density functional theory methods in order to use them in organic photovoltaic cell (OPVC). Phenanthro[3,4-d:9,10-d‧]bis([1,2,3]thiadiazole)-10,12-dicarbonitrile moiety has been used as an acceptor for all compounds. We insert benzo[1,2-b:4,5-b‧]dithiophene and N,N-diphenylbenzo[1,2-b:4,5-b‧]dithiophen-2-amine units as donor to complete designing of copolymers. In order to tuning the optical and electronic properties, we have modified the donor unit by substituted with amine, methoxyamine, N-methylenethiophen-2-amine, methoxy, alkoxy moieties. The band gap (Eg), HOMO and LUMO values and plots, open circuit voltage (VOC) as well as optical properties have been analysed for designed copolymers. The optimised copolymers exhibit low-band-gap lying in the range of 1.03-2.24 eV. DPTD-6 copolymer presents the optimal properties to be used as an active layer due to its low Eg (1.03 eV) and a moderate VOC (0.56 eV). Thus, OPVC based on this copolymer in bulk-heterojunction composites with [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) as an acceptor has been modelled. Eg and VOC values of composite material DPTD-6:PCBM are found as 1.32 and 0.65 eV, respectively. A model band diagram has been established for OPVC, simulating the energy transfer between active layers.

  4. Sub-Band Gap Turn-On Near-Infrared-to-Visible Up-Conversion Device Enabled by an Organic-Inorganic Hybrid Perovskite Photovoltaic Absorber.

    Science.gov (United States)

    Yu, By Hyeonggeun; Cheng, Yuanhang; Li, Menglin; Tsang, Sai-Wing; So, Franky

    2018-05-09

    Direct integration of an infrared (IR) photodetector with an organic light-emitting diode (OLED) enables low-cost, pixel-free IR imaging. However, the operation voltage of the resulting IR-to-visible up-conversion is large because of the series device architecture. Here, we report a low-voltage near-IR (NIR)-to-visible up-conversion device using formamidinium lead iodide as a NIR absorber integrated with a phosphorescent OLED. Because of the efficient photocarrier injection from the hybrid perovskite layer to the OLED, we observed a sub-band gap turn-on of the OLED under NIR illumination. The device showed a NIR-to-visible up-conversion efficiency of 3% and a luminance on/off ratio of 10 3 at only 5 V. Finally, we demonstrate pixel-free NIR imaging using the up-conversion device.

  5. Review of wide band-gap semiconductors technology

    Directory of Open Access Journals (Sweden)

    Jin Haiwei

    2016-01-01

    Full Text Available Silicon carbide (SiC and gallium nitride (GaN are typical representative of the wide band-gap semiconductor material, which is also known as third-generation semiconductor materials. Compared with the conventional semiconductor silicon (Si or gallium arsenide (GaAs, wide band-gap semiconductor has the wide band gap, high saturated drift velocity, high critical breakdown field and other advantages; it is a highly desirable semiconductor material applied under the case of high-power, high-temperature, high-frequency, anti-radiation environment. These advantages of wide band-gap devices make them a hot spot of semiconductor technology research in various countries. This article describes the research agenda of United States and European in this area, focusing on the recent developments of the wide band-gap technology in the US and Europe, summed up the facing challenge of the wide band-gap technology.

  6. Sub-band gap photo-enhanced secondary electron emission from high-purity single-crystal chemical-vapor-deposited diamond

    International Nuclear Information System (INIS)

    Yater, J. E.; Shaw, J. L.; Pate, B. B.; Feygelson, T. I.

    2016-01-01

    Secondary-electron-emission (SEE) current measured from high-purity, single-crystal (100) chemical-vapor-deposited diamond is found to increase when sub-band gap (3.06 eV) photons are incident on the hydrogenated surface. Although the light does not produce photoemission directly, the SEE current increases by more than a factor of 2 before saturating with increasing laser power. In energy distribution curves (EDCs), the emission peak shows a corresponding increase in intensity with increasing laser power. However, the emission-onset energy in the EDCs remains constant, indicating that the bands are pinned at the surface. On the other hand, changes are observed on the high-energy side of the distribution as the laser power increases, with a well-defined shoulder becoming more pronounced. From an analysis of this feature in the EDCs, it is deduced that upward band bending is present in the near-surface region during the SEE measurements and this band bending suppresses the SEE yield. However, sub-band gap photon illumination reduces the band bending and thereby increases the SEE current. Because the bands are pinned at the surface, we conclude that the changes in the band levels occur below the surface in the electron transport region. Sample heating produces similar effects as observed with sub-band gap photon illumination, namely, an increase in SEE current and a reduction in band bending. However, the upward band bending is not fully removed by either increasing laser power or temperature, and a minimum band bending of ∼0.8 eV is established in both cases. The sub-band gap photo-excitation mechanism is under further investigation, although it appears likely at present that defect or gap states play a role in the photo-enhanced SEE process. In the meantime, the study demonstrates the ability of visible light to modify the electronic properties of diamond and enhance the emission capabilities, which may have potential impact for diamond-based vacuum electron

  7. Phononic band gap structures as optimal designs

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole

    2003-01-01

    In this paper we use topology optimization to design phononic band gap structures. We consider 2D structures subjected to periodic loading and obtain the distribution of two materials with high contrast in material properties that gives the minimal vibrational response of the structure. Both in...

  8. High-quality photonic crystals with a nearly complete band gap obtained by direct inversion of woodpile templates with titanium dioxide.

    Science.gov (United States)

    Marichy, Catherine; Muller, Nicolas; Froufe-Pérez, Luis S; Scheffold, Frank

    2016-02-25

    Photonic crystal materials are based on a periodic modulation of the dielectric constant on length scales comparable to the wavelength of light. These materials can exhibit photonic band gaps; frequency regions for which the propagation of electromagnetic radiation is forbidden due to the depletion of the density of states. In order to exhibit a full band gap, 3D PCs must present a threshold refractive index contrast that depends on the crystal structure. In the case of the so-called woodpile photonic crystals this threshold is comparably low, approximately 1.9 for the direct structure. Therefore direct or inverted woodpiles made of high refractive index materials like silicon, germanium or titanium dioxide are sought after. Here we show that, by combining multiphoton lithography and atomic layer deposition, we can achieve a direct inversion of polymer templates into TiO2 based photonic crystals. The obtained structures show remarkable optical properties in the near-infrared region with almost perfect specular reflectance, a transmission dip close to the detection limit and a Bragg length comparable to the lattice constant.

  9. A 380 V High Efficiency and High Power Density Switched-Capacitor Power Converter using Wide Band Gap Semiconductors

    DEFF Research Database (Denmark)

    Fan, Lin; Knott, Arnold; Jørgensen, Ivan Harald Holger

    2018-01-01

    . This paper presents such a high voltage low power switched-capacitor DC-DC converter with an input voltage upto 380 V (compatible with rectified European mains) and an output power experimentally validated up to 21.3 W. The wideband gap semiconductor devices of GaN switches and SiC diodes are combined...... to compose the proposed power stage. Their switching and loss characteristics are analyzed with transient waveforms and thermal images. Different isolated driving circuits are compared and a compact isolated halfbridge driving circuit is proposed. The full-load efficiencies of 98.3% and 97.6% are achieved......State-of-the-art switched-capacitor DC-DC power converters mainly focus on low voltage and/or high power applications. However, at high voltage and low power levels, new designs are anticipated to emerge and a power converter that has both high efficiency and high power density is highly desirable...

  10. Sub-band-gap laser micromachining of lithium niobate

    DEFF Research Database (Denmark)

    Christensen, F. K.; Müllenborn, Matthias

    1995-01-01

    method is reported which enables us to do laser processing of lithium niobate using sub-band-gap photons. Using high scan speeds, moderate power densities, and sub-band-gap photon energies results in volume removal rates in excess of 106µm3/s. This enables fast micromachining of small piezoelectric...

  11. Quasiparticle band gap of organic-inorganic hybrid perovskites: Crystal structure, spin-orbit coupling, and self-energy effects

    Science.gov (United States)

    Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong

    2016-02-01

    The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.

  12. Strain sensitivity of band gaps of Sn-containing semiconductors

    DEFF Research Database (Denmark)

    Li, Hong; Castelli, Ivano Eligio; Thygesen, Kristian Sommer

    2015-01-01

    Tuning of band gaps of semiconductors is a way to optimize materials for applications within photovoltaics or as photocatalysts. One way to achieve this is through applying strain to the materials. We investigate the effect of strain on a range of Sn-containing semiconductors using density...

  13. Ultrafast Charge and Triplet State Formation in Diketopyrrolopyrrole Low Band Gap Polymer/Fullerene Blends: Influence of Nanoscale Morphology of Organic Photovoltaic Materials on Charge Recombination to the Triplet State

    Directory of Open Access Journals (Sweden)

    René M. Williams

    2017-01-01

    Full Text Available Femtosecond transient absorption spectroscopy of thin films of two types of morphologies of diketopyrrolopyrrole low band gap polymer/fullerene-adduct blends is presented and indicates triplet state formation by charge recombination, an important loss channel in organic photovoltaic materials. At low laser fluence (approaching solar intensity charge formation characterized by a 1350 nm band (in ~250 fs dominates in the two PDPP-PCBM blends with different nanoscale morphologies and these charges recombine to form a local polymer-based triplet state on the sub-ns timescale (in ~300 and ~900 ps indicated by an 1100 nm absorption band. The rate of triplet state formation is influenced by the morphology. The slower rate of charge recombination to the triplet state (in ~900 ps belongs to a morphology that results in a higher power conversion efficiency in the corresponding device. Nanoscale morphology not only influences interfacial area and conduction of holes and electrons but also influences the mechanism of intersystem crossing (ISC. We present a model that correlates morphology to the exchange integral and fast and slow mechanisms for ISC (SOCT-ISC and H-HFI-ISC. For the pristine polymer, a flat and unstructured singlet-singlet absorption spectrum (between 900 and 1400 nm and a very minor triplet state formation (5% are observed at low laser fluence.

  14. Proceedings of wide band gap semiconductors

    International Nuclear Information System (INIS)

    Moustakas, T.D.; Pankove, J.I.; Hamakawa, Y.

    1992-01-01

    This book contains the proceedings of wide band gap semiconductors. Wide band gap semiconductors are under intense study because of their potential applications in photonic devices in the visible and ultraviolet part of the electromagnetic spectrum, and devices for high temperature, high frequency and high power electronics. Additionally, due to their unique mechanical, thermal, optical, chemical, and electronic properties many wide band gap semiconductors are anticipated to find applications in thermoelectric, electrooptic, piezoelectric and acoustooptic devices as well as protective coatings, hard coatings and heat sinks. Material systems covered in this symposium include diamond, II-VI compounds, III-V nitrides, silicon carbide, boron compounds, amorphous and microcrystalline semiconductors, chalcopyrites, oxides and halides. The various papers addressed recent experimental and theoretical developments. They covered issues related to crystal growth (bulk and thin films), structure and microstructure, defects, doping, optoelectronic properties and device applications. A theoretical session was dedicated to identifying common themes in the heteroepitaxy and the role of defects in doping, compensation and phase stability of this unique class of materials. Important experimental milestones included the demonstrations of bright blue injection luminescence at room temperatures from junctions based on III-V nitrides and a similar result from multiple quantum wells in a ZnSe double heterojunction at liquid nitrogen temperatures

  15. Highly aqueous soluble CaF2:Ce/Tb nanocrystals: effect of surface functionalization on structural, optical band gap, and photoluminescence properties.

    Science.gov (United States)

    Ansari, Anees A; Parchur, Abdul K; Kumar, Brijesh; Rai, S B

    2016-12-01

    The design of nanostructured materials with highly stable water-dispersion and luminescence efficiency is an important concern in nanotechnology and nanomedicine. In this paper, we described the synthesis and distinct surface modification on the morphological structure and optical (optical absorption, band gap energy, excitation, emission, decay time, etc.) properties of highly crystalline water-dispersible CaF 2 :Ce/Tb nanocrystals (core-nanocrystals). The epitaxial growth of inert CaF 2 and silica shell, respectively, on their surface forming as CaF 2 :Ce/Tb@CaF 2 (core/shell) and CaF 2 :Ce/Tb@CaF 2 @SiO 2 (core/shell/SiO 2 ) nanoarchitecture. X-ray diffraction and transmission electron microscope image shows that the nanocrystals were in irregular spherical phase, highly crystalline (~20 nm) with narrow size distribution. The core/shell nanocrystals confirm that the surface coating is responsible in the change of symmetrical nanostructure, which was determined from the band gap energy and luminescent properties. It was found that an inert inorganic shell formation effectively enhances the luminescence efficiency and silica shell makes the nanocrystals highly water-dispersible. In addition, Ce 3+ /Tb 3+ -co-doped CaF 2 nanocrystals show efficient energy transfer from Ce 3+ to Tb 3+ ion and strong green luminescence of Tb 3+ ion at 541 nm( 5 D 4 → 7 F 5 ). Luminescence decay curves of core and core/shell nanocrystals were fitted using mono and biexponential equations, and R 2 regression coefficient criteria were used to discriminate the goodness of the fitted model. The lifetime values for the core/shell nanocrystals are higher than core-nanocrystals. Considering the high stable water-dispersion and intensive luminescence emission in the visible region, these luminescent core/shell nanocrystals could be potential candidates for luminescent bio-imaging, optical bio-probe, displays, staining, and multianalyte optical sensing. A newly designed CaF 2 :Ce

  16. The structure and band gap design of high Si doping level Ag1−xGa1−xSixSe2 (x=1/2)

    International Nuclear Information System (INIS)

    Zhang, Shiyan; Mei, Dajiang; Du, Xin; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong; Xu, Jingli

    2016-01-01

    Ag 1−x Ga 1−x Si x Se 2 solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe 4 has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe 4 is composed of AgSe 3 trigonal planar units, AgSe 4 tetrahedra and MSe 4 (M=Si, Ga) tetrahedra. AgGaSiSe 4 is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe 4 and the value is 0.33 eV larger than that of Ag 3 Ga 3 SiSe 8 (2.30 eV). - Graphical abstract: The Ag 1−x Ga 1−x Si x Se 2 with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe 4 was synthesized for the first time. AgGaSiSe 4 crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe 3 trigonal planar units, AgSe 4 tetrahedra and MSe 4 (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag 1−x Ga 1−x Si x Se 2 with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe 4 . • AgGaSiSe 4 crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe 4 is enlarged compared with Ag 3 Ga 3 SiSe 8 .

  17. Band gap engineering strategy via polarization rotation in perovskite ferroelectrics

    International Nuclear Information System (INIS)

    Wang, Fenggong; Grinberg, Ilya; Rappe, Andrew M.

    2014-01-01

    We propose a strategy to engineer the band gaps of perovskite oxide ferroelectrics, supported by first principles calculations. We find that the band gaps of perovskites can be substantially reduced by as much as 1.2 eV through local rhombohedral-to-tetragonal structural transition. Furthermore, the strong polarization of the rhombohedral perovskite is largely preserved by its tetragonal counterpart. The B-cation off-center displacements and the resulting enhancement of the antibonding character in the conduction band give rise to the wider band gaps of the rhombohedral perovskites. The correlation between the structure, polarization orientation, and electronic structure lays a good foundation for understanding the physics of more complex perovskite solid solutions and provides a route for the design of photovoltaic perovskite ferroelectrics

  18. Medium band gap polymer based solution-processed high-κ composite gate dielectrics for ambipolar OFET

    Science.gov (United States)

    Canımkurbey, Betül; Unay, Hande; Çakırlar, Çiğdem; Büyükköse, Serkan; Çırpan, Ali; Berber, Savas; Altürk Parlak, Elif

    2018-03-01

    The authors present a novel ambipolar organic filed-effect transistors (OFETs) composed of a hybrid dielectric thin film of Ta2O5:PMMA nanocomposite material, and solution processed poly(selenophene, benzotriazole and dialkoxy substituted [1,2-b:4, 5-b‧] dithiophene (P-SBTBDT)-based organic semiconducting material as the active layer of the device. We find that the Ta2O5:PMMA insulator shows n-type conduction character, and its combination with the p-type P-SBTBDT organic semiconductor leads to an ambipolar OFET device. Top-gated OFETs were fabricated on glass substrate consisting of interdigitated ITO electrodes. P-SBTBDT-based material was spin coated on the interdigitated ITO electrodes. Subsequently, a solution processed Ta2O5:PMMA nanocomposite material was spin coated, thereby creating the gate dielectric layer. Finally, as a gate metal, an aluminum layer was deposited by thermal evaporation. The fabricated OFETs exhibited an ambipolar performance with good air-stability, high field-induced current and relatively high electron and hole mobilities although Ta2O5:PMMA nanocomposite films have slightly higher leakage current compared to the pure Ta2O5 films. Dielectric properties of the devices with different ratios of Ta2O5:PMMA were also investigated. The dielectric constant varied between 3.6 and 5.3 at 100 Hz, depending on the Ta2O5:PMMA ratio.

  19. Band Gap Engineering of Titania Systems Purposed for Photocatalytic Activity

    Science.gov (United States)

    Thurston, Cameron

    Ab initio computer aided design drastically increases candidate population for highly specified material discovery and selection. These simulations, carried out through a first-principles computational approach, accurately extrapolate material properties and behavior. Titanium Dioxide (TiO2 ) is one such material that stands to gain a great deal from the use of these simulations. In its anatase form, titania (TiO2 ) has been found to exhibit a band gap nearing 3.2 eV. If titania is to become a viable alternative to other contemporary photoactive materials exhibiting band gaps better suited for the solar spectrum, then the band gap must be subsequently reduced. To lower the energy needed for electronic excitation, both transition metals and non-metals have been extensively researched and are currently viable candidates for the continued reduction of titania's band gap. The introduction of multicomponent atomic doping introduces new energy bands which tend to both reduce the band gap and recombination loss. Ta-N, Nb-N, V-N, Cr-N, Mo-N, and W-N substitutions were studied in titania and subsequent energy and band gap calculations show a favorable band gap reduction in the case of passivated systems.

  20. Dependency of the band gap of electrodeposited Copper oxide thin films on the concentration of copper sulfate (CuSO4.5H2O) and pH in bath solution for photovoltaic applications

    KAUST Repository

    Islam, Md. Anisul

    2016-03-10

    In this study, Copper oxide thin films were deposited on copper plate by electrodeposition process in an electrolytic bath containing CuSO4.5H2O, 3M lactic acid and NaOH. Copper oxide films were electrodeposited at different pH and different concentration of CuSO4.5H2O and the optical band gap was determined from their absorption spectrum which was obtained from UV-Vis absorption spectroscopy. It was found that copper oxide films which were deposited at low concentration of CuSO4.5H2O have higher band gap than those deposited at higher bath concentration. The band gap of copper oxide films also significantly changes with pH of the bath solution. It was also observed that with the increase of the pH of bath solution band gap of copper oxide film decreased. © 2015 IEEE.

  1. Single-Layer Halide Perovskite Light-Emitting Diodes with Sub-Band Gap Turn-On Voltage and High Brightness.

    Science.gov (United States)

    Li, Junqiang; Shan, Xin; Bade, Sri Ganesh R; Geske, Thomas; Jiang, Qinglong; Yang, Xin; Yu, Zhibin

    2016-10-03

    Charge-carrier injection into an emissive semiconductor thin film can result in electroluminescence and is generally achieved by using a multilayer device structure, which requires an electron-injection layer (EIL) between the cathode and the emissive layer and a hole-injection layer (HIL) between the anode and the emissive layer. The recent advancement of halide perovskite semiconductors opens up a new path to electroluminescent devices with a greatly simplified device structure. We report cesium lead tribromide light-emitting diodes (LEDs) without the aid of an EIL or HIL. These so-called single-layer LEDs have exhibited a sub-band gap turn-on voltage. The devices obtained a brightness of 591 197 cd m -2 at 4.8 V, with an external quantum efficiency of 5.7% and a power efficiency of 14.1 lm W -1 . Such an advancement demonstrates that very high efficiency of electron and hole injection can be obtained in perovskite LEDs even without using an EIL or HIL.

  2. Band Gap Tuning and Defect Tolerance of Atomically Thin Two- Dimensional Organic-Inorganic Halide Perovskites

    DEFF Research Database (Denmark)

    Pandey, Mohnish; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2016-01-01

    Organic−inorganic halide perovskites have proven highly successful for photovoltaics but suffer from low stability, which deteriorates their performance over time. Recent experiments have demonstrated that low dimensional phases of the hybrid perovskites may exhibit improved stability. Here we...... report first-principles calculations for isolated monolayers of the organometallic halide perovskites (C4H9NH3)2MX2Y2, where M = Pb, Ge, Sn and X,Y = Cl, Br, I. The band gaps computed using the GLLB-SC functional are found to be in excellent agreement with experimental photoluminescence data...... for the already synthesized perovskites. Finally, we study the effect of different defects on the band structure. We find that the most common defects only introduce shallow or no states in the band gap, indicating that these atomically thin 2D perovskites are likely to be defect tolerant....

  3. Photonic band gap structure simulator

    Science.gov (United States)

    Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

    2006-10-03

    A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

  4. Band Gap Tuning and Defect Tolerance of Atomically Thin Two- Dimensional Organic-Inorganic Halide Perovskites

    OpenAIRE

    Pandey, Mohnish; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2016-01-01

    Organic−inorganic halide perovskites have proven highly successful for photovoltaics but suffer from low stability, which deteriorates their performance over time. Recent experiments have demonstrated that low dimensional phases of the hybrid perovskites may exhibit improved stability. Here we report first-principles calculations for isolated monolayers of the organometallic halide perovskites (C4H9NH3)2MX2Y2, where M = Pb, Ge, Sn and X,Y = Cl, Br, I. The band gaps computed using the GLLB-SC ...

  5. Dependency of the band gap of electrodeposited Copper oxide thin films on the concentration of copper sulfate (CuSO4.5H2O) and pH in bath solution for photovoltaic applications

    KAUST Repository

    Islam, Md. Anisul; Nurani, Sheikh Jaber; Karim, Md. Adnan; Rahman, Abu Sadat Md. Sayem; Abdul Halim, Md. Md. Ansar Ali

    2016-01-01

    concentration of CuSO4.5H2O and the optical band gap was determined from their absorption spectrum which was obtained from UV-Vis absorption spectroscopy. It was found that copper oxide films which were deposited at low concentration of CuSO4.5H2O have higher

  6. Two-phase jet impingement cooling for high heat flux wide band-gap devices using multi-scale porous surfaces

    International Nuclear Information System (INIS)

    Joshi, Shailesh N.; Dede, Ercan M.

    2017-01-01

    Highlights: • Jet impingement with phase change on multi-scale porous surfaces is investigated. • Porous coated flat, pin-fin, open tunnel, and closed tunnel structures are studied. • Boiling curve, heat transfer coefficient, and pressure drop metrics are reported. • Flow visualization shows vapor removal from the surface is a key aspect of design. • The porous coated pin-fin surface exhibits superior two-phase cooling performance. - Abstract: In the future, wide band-gap (WBG) devices such as silicon carbide and gallium nitride will be widely used in automotive power electronics due to performance advantages over silicon-based devices. The high heat fluxes dissipated by WBG devices pose extreme cooling challenges that demand the use of advanced thermal management technologies such as two-phase cooling. In this light, we describe the performance of a submerged two-phase jet impingement cooler in combination with porous coated heat spreaders and multi-jet orifices. The cooling performance of four different porous coated structures was evaluated using R-245fa as the coolant at sub-cooling of 5 K. The results show that the boiling performance of a pin-fin heat spreader is the highest followed by that for an open tunnel (OPT), closed tunnel (CLT), and flat heat spreader. Furthermore, the flat heat spreader demonstrated the lowest critical heat flux (CHF), while the pin-fin surface sustained a heat flux of 218 W/cm 2 without reaching CHF. The CHF values of the OPT and CLT surfaces were 202 W/cm 2 and 194 W/cm 2 , respectively. The pin-fin heat spreader has the highest two-phase heat transfer coefficient of 97,800 W/m 2 K, while the CLT surface has the lowest heat transfer coefficient of 69,300 W/m 2 K, both at a heat flux of 165 W/cm 2 . The variation of the pressure drop of all surfaces is similar for the entire range of heat fluxes tested. The flat heat spreader exhibited the least pressure drop, 1.73 kPa, while the CLT surface had the highest, 2.17 kPa at a

  7. Designing Phononic Crystals with Wide and Robust Band Gaps

    Science.gov (United States)

    Jia, Zian; Chen, Yanyu; Yang, Haoxiang; Wang, Lifeng

    2018-04-01

    Phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with wide and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.

  8. Designing Phononic Crystals with Wide and Robust Band Gaps

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yanyu [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Jia, Zian [State University of New York at Stony Brook; Yang, Haoxiang [State University of New York at Stony Brook; Wang, Lifeng [State University of New York at Stony Brook

    2018-04-16

    Phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with wide and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.

  9. Modification in band gap of zirconium complexes

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Mayank, E-mail: mayank30134@gmail.com; Singh, J.; Chouhan, S. [Department of Physics, ISLE, IPS Academy, Indore (M.P.) (India); Mishra, A. [School of Physics, Devi Ahilya Vishwavidyalaya, Indore (M.P.) (India); Shrivastava, B. D. [Govt. P. G. College, Biora (M.P.) (India)

    2016-05-06

    The optical properties of zirconium complexes with amino acid based Schiff bases are reported here. The zirconium complexes show interesting stereo chemical features, which are applicable in organometallic and organic synthesis as well as in catalysis. The band gaps of both Schiff bases and zirconium complexes were obtained by UV-Visible spectroscopy. It was found that the band gap of zirconium complexes has been modified after adding zirconium compound to the Schiff bases.

  10. Band Gap Tuning and Defect Tolerance of Atomically Thin Two-Dimensional Organic-Inorganic Halide Perovskites.

    Science.gov (United States)

    Pandey, Mohnish; Jacobsen, Karsten W; Thygesen, Kristian S

    2016-11-03

    Organic-inorganic halide perovskites have proven highly successful for photovoltaics but suffer from low stability, which deteriorates their performance over time. Recent experiments have demonstrated that low dimensional phases of the hybrid perovskites may exhibit improved stability. Here we report first-principles calculations for isolated monolayers of the organometallic halide perovskites (C 4 H 9 NH 3 ) 2 MX 2 Y 2 , where M = Pb, Ge, Sn and X,Y = Cl, Br, I. The band gaps computed using the GLLB-SC functional are found to be in excellent agreement with experimental photoluminescence data for the already synthesized perovskites. Finally, we study the effect of different defects on the band structure. We find that the most common defects only introduce shallow or no states in the band gap, indicating that these atomically thin 2D perovskites are likely to be defect tolerant.

  11. BiOCl{sub x}Br{sub y}I{sub z} (x + y + z = 1) solid solutions with controllable band gap and highly enhanced visible light photocatalytic performances

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Xiuguo; Zhang, Yangyang; Li, Chunmei; Zhang, Zhifeng; Peng, Zheng; Si, Huayan; Zhang, Jianmin [School of Materials Science and Engineering, Shijiazhuang Tiedao University, Shijiazhuang 050043 (China); Li, Yanting, E-mail: yantingcn@stdu.edu.cn [School of Materials Science and Engineering, Shijiazhuang Tiedao University, Shijiazhuang 050043 (China); Hebei Provincial Key Laboratory of Traffic Engineering materials, Shijiazhuang Tiedao University, Shijiazhuang 050043 (China)

    2015-07-25

    Highlights: • BiOCl{sub x}Br{sub y}I{sub z} solid solutions were prepared by hydrolysis method. • Band gap of the solid solutions can be controllable by adjusting the molar ratio of halogen ions. • The samples show higher visible light photocatalytic activity than pure BiOX. • Orbital diversification of VB is beneficial to separating the holes and electrons effectively. • The mechanisms are discussed by active species trapping and band theory. - Abstract: A series of BiOCl{sub x}Br{sub y}I{sub z} solid solutions with controllable band gap and highly enhanced visible light photocatalytic performances were synthesized by a simple hydrolysis method. The samples were characterized by X-ray powder diffraction, UV–vis diffuse reflectance spectra, scanning electron microscope, high-resolution transmission electron microscopy and Brunauer–Emmett–Teller analysis. By adjusting the molar ratio of halogen ions, the band gap of BiOCl{sub x}Br{sub y}I{sub z} could be controllable to the suitable value for a photocatalytic reaction. Especially, BiOCl{sub x}Br{sub y}I{sub z} with a 1:1:2 molar ratio of Cl, Br to I showed the highest visible light photocatalytic activity for the degradation of methyl orange than individual BiOX systems. The degradation efficiency could reach over 90% within 60 min. The possible mechanism of photogenerated carrier transfer and higher photocatalytic activity was analyzed by active species trapping and energy band theory.

  12. Measurement of the band gap by reflection electron energy loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Vos, Maarten, E-mail: maarten.vos@anu.edu.au [Electronic Materials Engineering Department, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); King, Sean W. [Logic Technology Development, Intel Corporation, Hillsboro, OR 97124 (United States); French, Benjamin L. [Ocotillo Materials Laboratory, Intel Corporation, Chandler, AZ 85248 (United States)

    2016-10-15

    Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

  13. Measurement of the band gap by reflection electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Vos, Maarten; King, Sean W.; French, Benjamin L.

    2016-01-01

    Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

  14. Maximizing band gaps in plate structures

    DEFF Research Database (Denmark)

    Halkjær, Søren; Sigmund, Ole; Jensen, Jakob Søndergaard

    2006-01-01

    periodic plate using Bloch theory, which conveniently reduces the maximization problem to that of a single base cell. Secondly, we construct a finite periodic plate using a number of the optimized base cells in a postprocessed version. The dynamic properties of the finite plate are investigated......Band gaps, i.e., frequency ranges in which waves cannot propagate, can be found in elastic structures for which there is a certain periodic modulation of the material properties or structure. In this paper, we maximize the band gap size for bending waves in a Mindlin plate. We analyze an infinite...... theoretically and experimentally and the issue of finite size effects is addressed....

  15. Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

    KAUST Repository

    Waterhouse, G. I. N.

    2013-10-10

    Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity is attributed to suppression of a fraction of electron-hole recombination route due to the co-incidence of the PBG with the EBG of TiO2 These materials that maintain their activity with very small amount of sacrificial agents (down to 0.5 vol.% of ethanol) are poised to find direct applications because of their high activity, low cost of the process, simplicity and stability.

  16. Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

    KAUST Repository

    Waterhouse, G. I. N.; Wahab, A. K.; Al-Oufi, M.; Jovic, V.; Anjum, Dalaver H.; Sun-Waterhouse, D.; Llorca, J.; Idriss, H.

    2013-01-01

    Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity is attributed to suppression of a fraction of electron-hole recombination route due to the co-incidence of the PBG with the EBG of TiO2 These materials that maintain their activity with very small amount of sacrificial agents (down to 0.5 vol.% of ethanol) are poised to find direct applications because of their high activity, low cost of the process, simplicity and stability.

  17. Hollow-core photonic band gap fibers for particle acceleration

    Directory of Open Access Journals (Sweden)

    Robert J. Noble

    2011-12-01

    Full Text Available Photonic band gap (PBG dielectric fibers with hollow cores are being studied both theoretically and experimentally for use as laser driven accelerator structures. The hollow core functions as both a longitudinal waveguide for the transverse-magnetic (TM accelerating fields and a channel for the charged particles. The dielectric surrounding the core is permeated by a periodic array of smaller holes to confine the mode, forming a photonic crystal fiber in which modes exist in frequency passbands, separated by band gaps. The hollow core acts as a defect which breaks the crystal symmetry, and so-called defect, or trapped modes having frequencies in the band gap will only propagate near the defect. We describe the design of 2D hollow-core PBG fibers to support TM defect modes with high longitudinal fields and high characteristic impedance. Using as-built dimensions of industrially made fibers, we perform a simulation analysis of prototype PBG fibers with dimensions appropriate for speed-of-light TM modes.

  18. Plasmon band gap generated by intense ion acoustic waves

    International Nuclear Information System (INIS)

    Son, S.; Ku, S.

    2010-01-01

    In the presence of an intense ion acoustic wave, the energy-momentum dispersion relation of plasmons is strongly modified to exhibit a band gap structure. The intensity of an ion acoustic wave might be measured from the band gap width. The plasmon band gap can be used to block the nonlinear cascading channel of the Langmuir wave decay.

  19. Band-gap measurements of bulk and nanoscale hematite by soft x-ray spectroscopy

    DEFF Research Database (Denmark)

    Gilbert, B.; Frandsen, Cathrine; Maxey, E.R.

    2009-01-01

    Chemical and photochemical processes at semiconductor surfaces are highly influenced by the size of the band gap, and ability to control the band gap by particle size in nanomaterials is part of their promise. The combination of soft x-ray absorption and emission spectroscopies provides band......-gap determination in bulk and nanoscale itinerant electron semiconductors such as CdS and ZnO, but this approach has not been established for materials such as iron oxides that possess band-edge electronic structure dominated by electron correlations. We performed soft x-ray spectroscopy at the oxygen K...

  20. Optical band gaps of organic semiconductor materials

    Science.gov (United States)

    Costa, José C. S.; Taveira, Ricardo J. S.; Lima, Carlos F. R. A. C.; Mendes, Adélio; Santos, Luís M. N. B. F.

    2016-08-01

    UV-Vis can be used as an easy and forthright technique to accurately estimate the band gap energy of organic π-conjugated materials, widely used as thin films/composites in organic and hybrid electronic devices such as OLEDs, OPVs and OFETs. The electronic and optical properties, including HOMO-LUMO energy gaps of π-conjugated systems were evaluated by UV-Vis spectroscopy in CHCl3 solution for a large number of relevant π-conjugated systems: tris-8-hydroxyquinolinatos (Alq3, Gaq3, Inq3, Al(qNO2)3, Al(qCl)3, Al(qBr)3, In(qNO2)3, In(qCl)3 and In(qBr)3); triphenylamine derivatives (DDP, p-TTP, TPB, TPD, TDAB, m-MTDAB, NPB, α-NPD); oligoacenes (naphthalene, anthracene, tetracene and rubrene); oligothiophenes (α-2T, β-2T, α-3T, β-3T, α-4T and α-5T). Additionally, some electronic properties were also explored by quantum chemical calculations. The experimental UV-Vis data are in accordance with the DFT predictions and indicate that the band gap energies of the OSCs dissolved in CHCl3 solution are consistent with the values presented for thin films.

  1. Formation of Degenerate Band Gaps in Layered Systems

    Directory of Open Access Journals (Sweden)

    Alexey P. Vinogradov

    2012-06-01

    Full Text Available In the review, peculiarities of spectra of one-dimensional photonic crystals made of anisotropic and/or magnetooptic materials are considered. The attention is focused on band gaps of a special type—the so called degenerate band gaps which are degenerate with respect to polarization. Mechanisms of formation and properties of these band gaps are analyzed. Peculiarities of spectra of photonic crystals that arise due to the linkage between band gaps are discussed. Particularly, it is shown that formation of a frozen mode is caused by linkage between Brillouin and degenerate band gaps. Also, existence of the optical Borrmann effect at the boundaries of degenerate band gaps and optical Tamm states at the frequencies of degenerate band gaps are analyzed.

  2. The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shiyan [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Mei, Dajiang, E-mail: meidajiang718@pku.edu.cn [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Du, Xin [Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Lin, Zheshuai [Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Chinese Academy of Sciences, Beijing 100190 (China); Zhong, Junbo [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Wu, Yuandong, E-mail: wuyuandong2013@outlook.com [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Xu, Jingli [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China)

    2016-06-15

    Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe{sub 4} has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe{sub 4} is composed of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4}(M=Si, Ga) tetrahedra. AgGaSiSe{sub 4} is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe{sub 4} and the value is 0.33 eV larger than that of Ag{sub 3}Ga{sub 3}SiSe{sub 8} (2.30 eV). - Graphical abstract: The Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe{sub 4} was synthesized for the first time. AgGaSiSe{sub 4} crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4} (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe{sub 4}. • AgGaSiSe{sub 4} crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe{sub 4} is enlarged compared with Ag{sub 3}Ga{sub 3}SiSe{sub 8}.

  3. Band gaps for the relativistic Mathieu potential

    International Nuclear Information System (INIS)

    Clerk, G.J.; McKellar, B.H.J.

    1992-01-01

    A study of the band structure of a massless particle in a cosine potential is made via the Dirac equation. It is shown that every alternate band gap disappears as a consequence of a periodicity of the potential combined with a peculiar symmetry of the Dirac equation. This basic potential is then used to study a simple one-dimensional model of the nucleus from which it is ascertained that modelling the mean field of the quarks in the nucleus via a pure scalar potential is unsatisfactory. A simple extension involving a combined scalar and vector potential is then proposed as a possible solution to this problem. The effect of the addition of this vector component to the band structure is also investigated. 32 refs

  4. Enhanced surface area, high Zn interstitial defects and band gap reduction in N-doped ZnO nanosheets coupled with BiVO{sub 4} leads to improved photocatalytic performance

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Sonal [Deen Dayal Upadhyaya College, Dwarka, University of Delhi, New Delhi 110078 (India); Sharma, Rishabh, E-mail: rishabh.rammstien@gmail.com [Thin Film Laboratory, Department of Physics, Indian Institute of Technology, New Delhi 110016 (India); Mehta, Bodh Raj [Thin Film Laboratory, Department of Physics, Indian Institute of Technology, New Delhi 110016 (India)

    2017-07-31

    Highlights: • In this study, we report novel nitrogen doped ZnO (nanosheet)/BiVO{sub 4} nanocomposite with enhanced visible light photocatalytic activity tested on methylene blue dye. • In a typical composite synthesis process, individual metal oxides synthesized by chemical route were mixed through ultrasonication followed by annealing at the temperature of 400 °C. • To understand mechanism of action we carried out XRD, TEM, UV–vis spectroscopy, XPS, BET & PL of the samples. • Enhancement in photocatalytic performance of the composite was due to increased light absorption due to band gap reduction and formation intermediate band. • Also, charge exchange as per Z-scheme at the hetrojunction between N-ZnO and BiVO{sub 4} resulted in reduced charge recombination rate which is further responsible for enhancement in photocatalytic activity. - Abstract: For the first time, a series of Nitrogen-doped-ZnO nanosheet coupled with BiVO{sub 4} (N-ZnO/BiVO{sub 4}) heterojunctioned photocatalysts have been synthesized. The new N-ZnO/BiVO{sub 4} material has been prepared via a simple and effective method of precipitation followed by high temperature annealing process. The photocatalytic activities of the N-ZnO/BiVO{sub 4} composites were evaluated for the degradation of methylene blue (MB) a common organic pollutant under visible-light irradiation. The results revealed that photocatalytic activity of the coupled system was directly influenced by the percentage amount of BiVO{sub 4} in N-ZnO which affected the available exposed surface area for photoreactions. 30% N-ZnO/BiVO{sub 4} system exhibited remarkable performance than 10%N-ZnO/BiVO{sub 4}, 50%N-ZnO/BiVO{sub 4}, and also to their pristine counterparts. The composite demonstrated the degradation efficiency of 90% in 90 min which is 1.76 times the efficiency of pure ZnO for same time duration. This pronounced photocatalytic effect is ascribed to the reduced band gap and lowered recombination rate of ZnO due to

  5. Tuning and switching of band gap of the periodically undulated beam by the snap through buckling

    Directory of Open Access Journals (Sweden)

    Y. Li

    2017-05-01

    Full Text Available We propose highly tuning and switching band gaps of phononic crystals through the snap through buckling by investigating wave propagation in a designed tractable undulated beam with single material and periodically arched shape. A series of numerical analyses are conducted to offer a thorough understanding of the evolution of the band gaps as a function of the vertical applied load. We find out that the interesting snap through buckling induced by the vertical load can alter the width of the band gap of the undulated beam dramatically, even switch them on and off. Our researches show an effective strategy to tune the band gaps of phononic crystals through the snap through buckling behavior.

  6. Estimation of photonic band gap in the hollow core cylindrical multilayer structure

    Science.gov (United States)

    Chourasia, Ritesh Kumar; Singh, Vivek

    2018-04-01

    The propagation characteristic of two hollow core cylindrical multilayer structures having high and low refractive index contrast of cladding regions have been studied and compared at two design wavelengths i.e. 1550 nm and 632.8 nm. With the help of transfer matrix method a relation between the incoming light wave and outgoing light wave has been developed using the boundary matching technique. In high refractive index contrast, small numbers of layers are sufficient to provide perfect band gap in both design wavelengths. The spectral position and width of band gap is highly depending on the optical path of incident light in all considered cases. For sensing application, the sensitivity of waveguide can be obtained either by monitoring the width of photonic band gap or by monitoring the spectral shift of photonic band gap. Change in the width of photonic band gap with the core refractive index is larger in high refractive index contrast of cladding materials. However, in the case of monitoring the spectral shift of band gap, the obtained sensitivity is large for low refractive index contrast of cladding materials and further it increases with increase of design wavelength.

  7. Density functional theory calculations for the band gap and formation energy of Pr4-xCaxSi12O3+xN18-x; a highly disordered compound with low symmetry and a large cell size.

    Science.gov (United States)

    Hong, Sung Un; Singh, Satendra Pal; Pyo, Myoungho; Park, Woon Bae; Sohn, Kee-Sun

    2017-06-28

    A novel oxynitride compound, Pr 4-x Ca x Si 12 O 3+x N 18-x , synthesized using a solid-state route has been characterized as a monoclinic structure in the C2 space group using Rietveld refinement on synchrotron powder X-ray diffraction data. The crystal structure of this compound was disordered due to the random distribution of Ca/Pr and N/O ions at various Wyckoff sites. A pragmatic approach for an ab initio calculation based on density function theory (DFT) for this disordered compound has been implemented to calculate an acceptable value of the band gap and formation energy. In general, for the DFT calculation of a disordered compound, a sufficiently large super cell and infinite variety of ensemble configurations is adopted to simulate the random distribution of ions; however, such an approach is time consuming and cost ineffective. Even a single unit cell model gave rise to 43 008 independent configurations as an input model for the DFT calculations. Since it was nearly impossible to calculate the formation energy and the band gap energy for all 43 008 configurations, an elitist non-dominated sorting genetic algorithm (NSGA-II) was employed to find the plausible configurations. In the NSGA-II, all 43 008 configurations were mathematically treated as genomes and the calculated band gap and the formation energy as the objective (fitness) function. Generalized gradient approximation (GGA) was first employed in the preliminary screening using NSGA-II, and thereafter a hybrid functional calculation (HSE06) was executed only for the most plausible GGA-relaxed configurations with lower formation and higher band gap energies. The final band gap energy (3.62 eV) obtained after averaging over the selected configurations, resembles closely the experimental band gap value (4.11 eV).

  8. Band Gap Modulated by Electronic Superlattice in Blue Phosphorene.

    Science.gov (United States)

    Zhuang, Jincheng; Liu, Chen; Gao, Qian; Liu, Yani; Feng, Haifeng; Xu, Xun; Wang, Jiaou; Zhao, Jijun; Dou, Shi Xue; Hu, Zhenpeng; Du, Yi

    2018-05-22

    Exploring stable two-dimensional materials with appropriate band gaps and high carrier mobility is highly desirable due to the potential applications in optoelectronic devices. Here, the electronic structures of phosphorene on a Au(111) substrate are investigated by scanning tunneling spectroscopy, angle-resolved photoemission spectroscopy (ARPES), and density functional theory (DFT) calculations. The substrate-induced phosphorene superstructure gives a superlattice potential, leading to a strong band folding effect of the sp band of Au(111) on the band structure. The band gap could be clearly identified in the ARPES results after examining the folded sp band. The value of the energy gap (∼1.1 eV) and the high charge carrier mobility comparable to that of black phosphorus, which is engineered by the tensile strain, are revealed by the combination of ARPES results and DFT calculations. Furthermore, the phosphorene layer on the Au(111) surface displays high surface inertness, leading to the absence of multilayer phosphorene. All these results suggest that the phosphorene on Au(111) could be a promising candidate, not only for fundamental research but also for nanoelectronic and optoelectronic applications.

  9. Micromachined millimeter-wave photonic band-gap crystals

    International Nuclear Information System (INIS)

    Oezbay, E.; Michel, E.; Tuttle, G.; Biswas, R.; Sigalas, M.; Ho, K.

    1994-01-01

    We have developed a new technique for fabricating three-dimensional photonic band-gap crystals. Our method utilizes an orderly stacking of micromachined (110) silicon wafers to build the periodic structure. A structure with a full three-dimensional photonic band gap centered near 100 GHz was measured, with experimental results in good agreement with theoretical predictions. This basic approach described should be extendable to build structures with photonic band-gap frequencies ranging from 30 GHz to 3 THz

  10. The Marvels of Electromagnetic Band Gap (EBG) Structures

    Science.gov (United States)

    2003-11-01

    terminology of "Electromagnetic conference papers and journal articles dealing with Band- gaps (EBG)". Recently, many researchers the characterizations...Band Gap (EBG) Structures 9 utilized to reduce the mutual coupling between Structures: An FDTD/Prony Technique elements of antenna arrays. based on the...Band- Gap of several patents. He has had pioneering research contributions in diverse areas of electromagnetics,Snteructure", Dymposiget o l 21 IE 48

  11. High-efficiency photovoltaic cells

    Science.gov (United States)

    Yang, H.T.; Zehr, S.W.

    1982-06-21

    High efficiency solar converters comprised of a two cell, non-lattice matched, monolithic stacked semiconductor configuration using optimum pairs of cells having bandgaps in the range 1.6 to 1.7 eV and 0.95 to 1.1 eV, and a method of fabrication thereof, are disclosed. The high band gap subcells are fabricated using metal organic chemical vapor deposition (MOCVD), liquid phase epitaxy (LPE) or molecular beam epitaxy (MBE) to produce the required AlGaAs layers of optimized composition, thickness and doping to produce high performance, heteroface homojunction devices. The low bandgap subcells are similarly fabricated from AlGa(As)Sb compositions by LPE, MBE or MOCVD. These subcells are then coupled to form a monolithic structure by an appropriate bonding technique which also forms the required transparent intercell ohmic contact (IOC) between the two subcells. Improved ohmic contacts to the high bandgap semiconductor structure can be formed by vacuum evaporating to suitable metal or semiconductor materials which react during laser annealing to form a low bandgap semiconductor which provides a low contact resistance structure.

  12. Band-gap and sub-band-gap photoelectrochemical processes at nanocrystalline CdS grown on ZnO by successive ionic layer adsorption and reaction method

    International Nuclear Information System (INIS)

    Malashchonak, M.V.; Streltsov, E.A.; Mazanik, A.V.; Kulak, A.I.; Poznyak, S.K.; Stroyuk, O.L.; Kuchmiy, S.Ya.; Gaiduk, P.I.

    2015-01-01

    Cadmium sulfide nanoparticle (NP) deposition by the successive ionic layer adsorption and reaction (SILAR) method on the surface of mesoporous ZnO micro-platelets with a large specific surface area (110 ± 10 m 2 g −1 ) results in the formation of ZnO/CdS heterostructures exhibiting a high incident photon-to-current conversion efficiency (Y) not only within the region of CdS fundamental absorption (Y max = 90%; 0.1 M Na 2 S + 0.1 M Na 2 SO 3 ), but also in the sub-band-gap (SBG) range (Y max = 25%). The onset potentials of SBG photoelectrochemical processes are more positive than the band-gap (BG) onset potential by up to 100 mV. A maximum incident photon-to-current conversion efficiency value for SBG processes is observed at larger amount of deposited CdS in comparison with the case of BG ones. The Urbach energy (E U ) of CdS NPs determined from the photocurrent spectra reaches a maximal value on an early deposition stage (E U = 93 mV at SILAR cycle number N = 5), then lowers somewhat (E U = 73 mV at N = 10) and remains steady in the range of N from 20 to 300 (E U = 67 ± 1 mV). High efficiency of the photoelectrochemical SBG processes are interpreted in terms of light scattering in the ZnO/CdS heterostructures. - Highlights: • ZnO/CdS films demonstrate high quantum efficiency (25%) for sub-band-gap transitions. • Onset photocurrent potentials for sub-band-gap processes differ than those for band-gap ones. • Sub-band-gap transitions are caused by band-tail states in CdS nanoparticles

  13. Band-gap and sub-band-gap photoelectrochemical processes at nanocrystalline CdS grown on ZnO by successive ionic layer adsorption and reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Malashchonak, M.V., E-mail: che.malasche@gmail.com [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Streltsov, E.A., E-mail: streltea@bsu.by [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Mazanik, A.V. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Kulak, A.I., E-mail: kulak@igic.bas-net.by [Institute of General and Inorganic Chemistry, National Academy of Sciences of Belarus, Surganova str., 9/1, Minsk 220072 (Belarus); Poznyak, S.K. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Stroyuk, O.L., E-mail: stroyuk@inphyschem-nas.kiev.ua [L.V. Pysarzhevsky Institute of Physical Chemistry of National Academy of Sciences of Ukraine, 31 prosp. Nauky, 03028 Kyiv (Ukraine); Kuchmiy, S.Ya. [L.V. Pysarzhevsky Institute of Physical Chemistry of National Academy of Sciences of Ukraine, 31 prosp. Nauky, 03028 Kyiv (Ukraine); Gaiduk, P.I. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus)

    2015-08-31

    Cadmium sulfide nanoparticle (NP) deposition by the successive ionic layer adsorption and reaction (SILAR) method on the surface of mesoporous ZnO micro-platelets with a large specific surface area (110 ± 10 m{sup 2}g{sup −1}) results in the formation of ZnO/CdS heterostructures exhibiting a high incident photon-to-current conversion efficiency (Y) not only within the region of CdS fundamental absorption (Y{sub max} = 90%; 0.1 M Na{sub 2}S + 0.1 M Na{sub 2}SO{sub 3}), but also in the sub-band-gap (SBG) range (Y{sub max} = 25%). The onset potentials of SBG photoelectrochemical processes are more positive than the band-gap (BG) onset potential by up to 100 mV. A maximum incident photon-to-current conversion efficiency value for SBG processes is observed at larger amount of deposited CdS in comparison with the case of BG ones. The Urbach energy (E{sub U}) of CdS NPs determined from the photocurrent spectra reaches a maximal value on an early deposition stage (E{sub U} = 93 mV at SILAR cycle number N = 5), then lowers somewhat (E{sub U} = 73 mV at N = 10) and remains steady in the range of N from 20 to 300 (E{sub U} = 67 ± 1 mV). High efficiency of the photoelectrochemical SBG processes are interpreted in terms of light scattering in the ZnO/CdS heterostructures. - Highlights: • ZnO/CdS films demonstrate high quantum efficiency (25%) for sub-band-gap transitions. • Onset photocurrent potentials for sub-band-gap processes differ than those for band-gap ones. • Sub-band-gap transitions are caused by band-tail states in CdS nanoparticles.

  14. Metallic photonic band-gap materials

    International Nuclear Information System (INIS)

    Sigalas, M.M.; Chan, C.T.; Ho, K.M.; Soukoulis, C.M.

    1995-01-01

    We calculate the transmission and absorption of electromagnetic waves propagating in two-dimensional (2D) and 3D periodic metallic photonic band-gap (PBG) structures. For 2D systems, there is substantial difference between the s- and p-polarized waves. The p-polarized waves exhibit behavior similar to the dielectric PBG's. But, the s-polarized waves have a cutoff frequency below which there are no propagating modes. For 3D systems, the results are qualitatively the same for both polarizations but there are important differences related to the topology of the structure. For 3D structures with isolated metallic scatterers (cermet topology), the behavior is similar to that of the dielectric PBG's, while for 3D structures with the metal forming a continuous network (network topology), there is a cutoff frequency below which there are no propagating modes. The systems with the network topology may have some interesting applications for frequencies less than about 1 THz where the absorption can be neglected. We also study the role of the defects in the metallic structures

  15. Photonic band gap materials: design, synthesis, and applications

    International Nuclear Information System (INIS)

    John, S.

    2000-01-01

    Full text: Unlike semiconductors which facilitate the coherent propagation of electrons, photonic band gap (PBG) materials execute their novel functions through the coherent localization of photons. I review and discuss our recent synthesis of a large scale three-dimensional silicon photonic crystal with a complete photonic band gap near 1.5 microns. When a PBG material is doped with impurity atoms which have an electronic transition that lies within the gap, spontaneous emission of light from the atom is inhibited. Inside the gap, the photon forms a bound state to the atom. Outside the gap, radiative dynamics in the colored vacuum is highly non Markovian. I discuss the influence of these memory effects on laser action. When spontaneous emission is absent, the next order radiative effect (resonance dipole dipole interaction between atoms) must be incorporated leading to anomalous nonlinear optical effects which occur at a much lower threshold than in ordinary vacuum. I describe the collective switching of two-level atoms near a photonic band edge, by external laser field, from a passive state to one exhibiting population inversion. This effect is forbidden in ordinary vacuum. However, in the context of a PBG material, this effect may be utilized for an all-optical transistor. Finally, I discuss the prospects for a phase sensitive, single atom quantum memory device, onto which information may be written by an external laser pulse

  16. Photonic-band-gap gyrotron amplifier with picosecond pulses

    Science.gov (United States)

    Nanni, Emilio A.; Jawla, Sudheer; Lewis, Samantha M.; Shapiro, Michael A.; Temkin, Richard J.

    2017-12-01

    We report the amplification of 250 GHz pulses as short as 260 ps without observation of pulse broadening using a photonic-band-gap circuit gyrotron traveling-wave-amplifier. The gyrotron amplifier operates with a device gain of 38 dB and an instantaneous bandwidth of 8 GHz. The operational bandwidth of the amplifier can be tuned over 16 GHz by adjusting the operating voltage of the electron beam and the magnetic field. The amplifier uses a 30 cm long photonic-band-gap interaction circuit to confine the desired TE03-like operating mode while suppressing lower order modes which can result in undesired oscillations. The circuit gain is >55 dB for a beam voltage of 23 kV and a current of 700 mA. These results demonstrate the wide bandwidths and a high gain achievable with gyrotron amplifiers. The amplification of picosecond pulses of variable lengths, 260-800 ps, shows good agreement with the theory using the coupled dispersion relation and the gain-spectrum of the amplifier as measured with quasi-CW input pulses.

  17. Wurtzite gallium phosphide has a direct-band gap

    NARCIS (Netherlands)

    Assali, S.; Zardo, I.; Plissard, S.; Verheijen, M.A.; Haverkort, J.E.M.; Bakkers, E.P.A.M.

    2013-01-01

    Gallium Phosphide (GaP) with the normal cubic crystal structure has an indirect band gap, which severely limits the emission efficiency. We report the fabrication of GaP nanowires with pure hexagonal crystal structure and demonstrate the direct nature of the band gap. We observe strong

  18. Study on the properties of tunable prohibited band gaps for one-dimensional ternary magnetized plasma photonic crystals

    International Nuclear Information System (INIS)

    Zhang Haifeng; Zheng Jianping; Zhu Rongjun

    2012-01-01

    The transfer matrix method was applied to study on the properties of tunable prohibited band gaps for one-dimensional ternary magnetized plasma photonic crystals with TE wave arbitrary incident under ideal conditions. TE wave would be divided into left-handed circularly polarized wave and right-handed circularly polarized wave after propagation through one-dimensional ternary magnetized plasma photonic crystals. The calculated transmission coefficients were used to analyze the effects of parameter of plasma, plasma filling factor, incident angle and relative dielectric constant for dielectric layer on the properties of tunable prohibited band gap. The results illustrate that the width of band gaps can not be broadened by increasing plasma collision frequency, the numbers and width of band gaps can be tuned by changing plasma frequency, plasma filling factor and relative dielectric constant for dielectric layer. The band gaps for right-handed circularly polarized wave can be tuned by the plasma gyro frequency, but band gaps for the left-handed circularly polarized wave can't influenced. Low-frequency region of band gaps will be broadened, while high-frequency region of band gaps will be firstly narrow and then broaden with increasing incident angle. (authors)

  19. Enhancement of phononic band gaps in ternary/binary structure

    International Nuclear Information System (INIS)

    Aly, Arafa H.; Mehaney, Ahmed

    2012-01-01

    Based on the transfer matrix method (TMM) and Bloch theory, the interaction of elastic waves (normal incidence) with 1D phononic crystal had been studied. The transfer matrix method was obtained for both longitudinal and transverse waves by applying the continuity conditions between the consecutive unit cells. Dispersion relations are calculated and plotted for both binary and ternary structures. Also we have investigated the corresponding effects on the band gaps values for the two types of phononic crystals. Furthermore, it can be observed that the complete band gaps are located in the common frequency stop-band regions. Numerical simulations are performed to investigate the effect of different thickness ratios inside each unit cell on the band gap values, as well as unit cells thickness on the central band gap frequency. These phononic band gap materials can be used as a filter for elastic waves at different frequencies values.

  20. Ferroelectric inverse opals with electrically tunable photonic band gap

    International Nuclear Information System (INIS)

    Li Bo; Zhou Ji; Li Longtu; Wang Xingjun; Liu Xiaohan; Zi Jian

    2003-01-01

    We present a scheme for tuning the photonic band gap (PBG) by an external electric field in a ferroelectric inverse opal structure. The inverse opals, consisting of ferroelectric (Pb,La)(Zr,Ti)O 3 (PLZT) ceramics, were synthesized by a sol-gel process. Optical reflection spectra show that the PBG of the PLZT inverse opals shifts continuously with the change in the applied electric field. As the photonic crystals (PCs) consist of the high-refractive-index constituent and possess an 'all-solid' structure, it should supply a more reliable mode to tune the PBG by the electric field for the superprism effect in PCs. It should be of high interest in device applications

  1. Photonic band gap spectra in Octonacci metamaterial quasicrystals

    Science.gov (United States)

    Brandão, E. R.; Vasconcelos, M. S.; Albuquerque, E. L.; Fulco, U. L.

    2017-02-01

    In this work we study theoretically the photonic band gap spectra for a one-dimensional quasicrystal made up of SiO2 (layer A) and a metamaterial (layer B) organized following the Octonacci sequence, where its nth-stage Sn is given by the inflation rule Sn =Sn - 1Sn - 2Sn - 1 for n ≥ 3 , with initial conditions S1 = A and S2 = B . The metamaterial is characterized by a frequency dependent electric permittivity ε(ω) and magnetic permeability μ(ω) . The polariton dispersion relation is obtained analytically by employing a theoretical calculation based on a transfer-matrix approach. A quantitative analysis of the spectra is then discussed, stressing the distribution of the allowed photonic band widths for high generations of the Octonacci structure, which depict a self-similar scaling property behavior, with a power law depending on the common in-plane wavevector kx .

  2. Design Strategies for Ultra-high Efficiency Photovoltaics

    Science.gov (United States)

    Warmann, Emily Cathryn

    While concentrator photovoltaic cells have shown significant improvements in efficiency in the past ten years, once these cells are integrated into concentrating optics, connected to a power conditioning system and deployed in the field, the overall module efficiency drops to only 34 to 36%. This efficiency is impressive compared to conventional flat plate modules, but it is far short of the theoretical limits for solar energy conversion. Designing a system capable of achieving ultra high efficiency of 50% or greater cannot be achieved by refinement and iteration of current design approaches. This thesis takes a systems approach to designing a photovoltaic system capable of 50% efficient performance using conventional diode-based solar cells. The effort began with an exploration of the limiting efficiency of spectrum splitting ensembles with 2 to 20 sub cells in different electrical configurations. Incorporating realistic non-ideal performance with the computationally simple detailed balance approach resulted in practical limits that are useful to identify specific cell performance requirements. This effort quantified the relative benefit of additional cells and concentration for system efficiency, which will help in designing practical optical systems. Efforts to improve the quality of the solar cells themselves focused on the development of tunable lattice constant epitaxial templates. Initially intended to enable lattice matched multijunction solar cells, these templates would enable increased flexibility in band gap selection for spectrum splitting ensembles and enhanced radiative quality relative to metamorphic growth. The III-V material family is commonly used for multijunction solar cells both for its high radiative quality and for the ease of integrating multiple band gaps into one monolithic growth. The band gap flexibility is limited by the lattice constant of available growth templates. The virtual substrate consists of a thin III-V film with the desired

  3. Synthesis of copper quantum dots by chemical reduction method and tailoring of its band gap

    Directory of Open Access Journals (Sweden)

    P. G. Prabhash

    2016-05-01

    Full Text Available Metallic copper nano particles are synthesized with citric acid and CTAB (cetyltrimethylammonium bromide as surfactant and chlorides as precursors. The particle size and surface morphology are analyzed by High Resolution Transmission Electron Microscopy. The average size of the nano particle is found to be 3 - 10 nm. The optical absorption characteristics are done by UV-Visible spectrophotometer. From the Tauc plots, the energy band gaps are calculated and because of their smaller size the particles have much higher band gap than the bulk material. The energy band gap is changed from 3.67 eV to 4.27 eV in citric acid coated copper quantum dots and 4.17 eV to 4.52 eV in CTAB coated copper quantum dots.

  4. Band-gap engineering of functional perovskites through quantum confinement and tunneling

    DEFF Research Database (Denmark)

    Castelli, Ivano Eligio; Pandey, Mohnish; Thygesen, Kristian Sommer

    2015-01-01

    An optimal band gap that allows for a high solar-to-fuel energy conversion efficiency is one of the key factors to achieve sustainability. We investigate computationally the band gaps and optical spectra of functional perovskites composed of layers of the two cubic perovskite semiconductors BaSnO3...... and BaTaO2N. Starting from an indirect gap of around 3.3 eV for BaSnO3 and a direct gap of 1.8 eV for BaTaO2N, different layerings can be used to design a direct gap of the functional perovskite between 2.3 and 1.2 eV. The variations of the band gap can be understood in terms of quantum confinement...

  5. Reducing support loss in micromechanical ring resonators using phononic band-gap structures

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Feng-Chia; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin [Industrial Technology Research Institute-South, Tainan 709, Taiwan (China); Hsu, Jin-Chen, E-mail: fengchiahsu@itri.org.t, E-mail: hsujc@yuntech.edu.t [Department of Mechanical Engineering, National Yunlin University of Science and Technology, Douliou, Yunlin 64002, Taiwan (China)

    2011-09-21

    In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.

  6. Reducing support loss in micromechanical ring resonators using phononic band-gap structures

    International Nuclear Information System (INIS)

    Hsu, Feng-Chia; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin; Hsu, Jin-Chen

    2011-01-01

    In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.

  7. Temperature dependence of the fundamental band gap parameters ...

    Indian Academy of Sciences (India)

    the energy and broadening of the fundamental band gap have been evaluated using various models including the ... other crucial parameters including the operating temperatures of these devices. ... refrigeration system (Air Product Displex).

  8. Designing broad phononic band gaps for in-plane modes

    Science.gov (United States)

    Li, Yang Fan; Meng, Fei; Li, Shuo; Jia, Baohua; Zhou, Shiwei; Huang, Xiaodong

    2018-03-01

    Phononic crystals are known as artificial materials that can manipulate the propagation of elastic waves, and one essential feature of phononic crystals is the existence of forbidden frequency range of traveling waves called band gaps. In this paper, we have proposed an easy way to design phononic crystals with large in-plane band gaps. We demonstrated that the gap between two arbitrarily appointed bands of in-plane mode can be formed by employing a certain number of solid or hollow circular rods embedded in a matrix material. Topology optimization has been applied to find the best material distributions within the primitive unit cell with maximal band gap width. Our results reveal that the centroids of optimized rods coincide with the point positions generated by Lloyd's algorithm, which deepens our understandings on the formation mechanism of phononic in-plane band gaps.

  9. Antenna Gain Enhancement Using a Photonic Band Gap Reflector

    National Research Council Canada - National Science Library

    Schloer, Karl

    1999-01-01

    Scientists have long known that periodic structures can filter electromagnetic (EM) waves. In the last decade, extension of one- and two-dimensionally periodic structures into a third periodic dimension has produced photonic band gap...

  10. Modelling and design of complete photonic band gaps in two ...

    Indian Academy of Sciences (India)

    Photonic crystal; complete photonic band gap; plane-wave expansion method. ... lies in the possibility of the substantial control of the radiation field by means of ... research. To prevent the propagation of the waves, whatever its direction is, the.

  11. Photonic band gap engineering in 2D photonic crystals

    Indian Academy of Sciences (India)

    Department of Applied Physics, Delhi College of Engineering, Faculty of Technology. (University of ... Photonic crystal; photonic band gap; plane-wave expansion method. PACS Nos 71.20 .... Numerical analysis and results. To obtain the ...

  12. First-principles study of direct and narrow band gap semiconducting β-CuGaO2

    International Nuclear Information System (INIS)

    Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; Ho, Kai-Ming

    2015-01-01

    Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO 2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first-principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the β-CuGaO 2 phase. Our calculations show that the β-CuGaO 2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point of Brillouin zone. The optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment. (paper)

  13. Maximizing the Optical Band Gap in 2D Photonic Crystals

    DEFF Research Database (Denmark)

    Hougaard, Kristian G.; Sigmund, Ole

    Topology optimization is used to find the 2D photonic crystal designs with the largest relative photonic band gaps. Starting points for the topology optimization are found with an exhaustive binary search on a low resolution grid.......Topology optimization is used to find the 2D photonic crystal designs with the largest relative photonic band gaps. Starting points for the topology optimization are found with an exhaustive binary search on a low resolution grid....

  14. Optimized dipole antennas on photonic band gap crystals

    International Nuclear Information System (INIS)

    Cheng, S.D.; Biswas, R.; Ozbay, E.; McCalmont, S.; Tuttle, G.; Ho, K.

    1995-01-01

    Photonic band gap crystals have been used as a perfectly reflecting substrate for planar dipole antennas in the 12--15 GHz regime. The position, orientation, and driving frequency of the dipole antenna on the photonic band gap crystal surface, have been optimized for antenna performance and directionality. Virtually no radiated power is lost to the photonic crystal resulting in gains and radiation efficiencies larger than antennas on other conventional dielectric substrates. copyright 1995 American Institute of Physics

  15. Band Gap Properties of Magnetoelectroelastic Grid Structures with Initial Stress

    International Nuclear Information System (INIS)

    Wang Yi-Ze; Li Feng-Ming

    2012-01-01

    The propagation of elastic waves in magnetoelectroelastic grid structures is studied. Band gap properties are presented and the effects of the magnetoelectroelastic coupling and initial stress are considered. Numerical calculations are performed using the plane-wave expansion method. The results show that the band gap width can be tuned by the initial stress. It is hoped that our results will be helpful for designing acoustic filters with magnetoelectroelastic materials and grid structures

  16. Band gap effects of hexagonal boron nitride using oxygen plasma

    Energy Technology Data Exchange (ETDEWEB)

    Sevak Singh, Ram; Leong Chow, Wai [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Yingjie Tay, Roland [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Hon Tsang, Siu [Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Mallick, Govind [Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Weapons and Materials Research Directorate, U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States); Tong Teo, Edwin Hang, E-mail: htteo@ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)

    2014-04-21

    Tuning of band gap of hexagonal boron nitride (h-BN) has been a challenging problem due to its inherent chemical stability and inertness. In this work, we report the changes in band gaps in a few layers of chemical vapor deposition processed as-grown h-BN using a simple oxygen plasma treatment. Optical absorption spectra show a trend of band gap narrowing monotonically from 6 eV of pristine h-BN to 4.31 eV when exposed to oxygen plasma for 12 s. The narrowing of band gap causes the reduction in electrical resistance by ∼100 fold. The x-ray photoelectron spectroscopy results of plasma treated hexagonal boron nitride surface show the predominant doping of oxygen for the nitrogen vacancy. Energy sub-band formations inside the band gap of h-BN, due to the incorporation of oxygen dopants, cause a red shift in absorption edge corresponding to the band gap narrowing.

  17. Band gap effects of hexagonal boron nitride using oxygen plasma

    International Nuclear Information System (INIS)

    Sevak Singh, Ram; Leong Chow, Wai; Yingjie Tay, Roland; Hon Tsang, Siu; Mallick, Govind; Tong Teo, Edwin Hang

    2014-01-01

    Tuning of band gap of hexagonal boron nitride (h-BN) has been a challenging problem due to its inherent chemical stability and inertness. In this work, we report the changes in band gaps in a few layers of chemical vapor deposition processed as-grown h-BN using a simple oxygen plasma treatment. Optical absorption spectra show a trend of band gap narrowing monotonically from 6 eV of pristine h-BN to 4.31 eV when exposed to oxygen plasma for 12 s. The narrowing of band gap causes the reduction in electrical resistance by ∼100 fold. The x-ray photoelectron spectroscopy results of plasma treated hexagonal boron nitride surface show the predominant doping of oxygen for the nitrogen vacancy. Energy sub-band formations inside the band gap of h-BN, due to the incorporation of oxygen dopants, cause a red shift in absorption edge corresponding to the band gap narrowing

  18. Modeling charged defects inside density functional theory band gaps

    International Nuclear Information System (INIS)

    Schultz, Peter A.; Edwards, Arthur H.

    2014-01-01

    Density functional theory (DFT) has emerged as an important tool to probe microscopic behavior in materials. The fundamental band gap defines the energy scale for charge transition energy levels of point defects in ionic and covalent materials. The eigenvalue gap between occupied and unoccupied states in conventional DFT, the Kohn–Sham gap, is often half or less of the experimental band gap, seemingly precluding quantitative studies of charged defects. Applying explicit and rigorous control of charge boundary conditions in supercells, we find that calculations of defect energy levels derived from total energy differences give accurate predictions of charge transition energy levels in Si and GaAs, unhampered by a band gap problem. The GaAs system provides a good theoretical laboratory for investigating band gap effects in defect level calculations: depending on the functional and pseudopotential, the Kohn–Sham gap can be as large as 1.1 eV or as small as 0.1 eV. We find that the effective defect band gap, the computed range in defect levels, is mostly insensitive to the Kohn–Sham gap, demonstrating it is often possible to use conventional DFT for quantitative studies of defect chemistry governing interesting materials behavior in semiconductors and oxides despite a band gap problem

  19. Anomalous band-gap bowing of AlN1−xPx alloy

    International Nuclear Information System (INIS)

    Winiarski, M.J.; Polak, M.; Scharoch, P.

    2013-01-01

    Highlights: •Structural and electronic properties of AlN 1−x P x from first principles. •The supercell and the virtual crystall approximation methods applied and compared. •Anomalously high band-gap bowing found. •Similarities of band-gap behavior to that in BN 1−x P x noticed. •Performance of MBJLDA with the pseudopotential approach discussed. -- Abstract: Electronic structure of zinc blende AlN 1−x P x alloy has been calculated from first principles. Structural optimization has been performed within the framework of LDA and the band-gaps calculated with the modified Becke–Jonson (MBJLDA) method. Two approaches have been examined: the virtual crystal approximation (VCA) and the supercell-based calculations (SC). The composition dependence of the lattice parameter obtained from the SC obeys Vegard’s law whereas the volume optimization in the VCA leads to an anomalous bowing of the lattice constant. A strong correlation between the band-gaps and the structural parameter in the VCA method has been observed. On the other hand, in the SC method the supercell size and atoms arrangement (clustered vs. uniform) appear to have a great influence on the computed band-gaps. In particular, an anomalously big band-gap bowing has been found in the case of a clustered configuration with relaxed geometry. Based on the performed tests and obtained results some general features of MBJLDA are discussed and its performance for similar systems predicted

  20. Crystal structure and band gap determination of HfO2 thin films

    NARCIS (Netherlands)

    Cheynet, M.C.; Pokrant, S.; Tichelaar, F.D.; Rouvière, J.L.

    2007-01-01

    Valence electron energy loss spectroscopy (VEELS) and high resolution transmission electron microscopy (HRTEM) are performed on three different HfO2 thin films grown on Si (001) by chemical vapor deposition (CVD) or atomic layer deposition (ALD). For each sample the band gap (Eg) is determined by

  1. Giant modulation of the electronic band gap of carbon nanotubes by dielectric screening

    NARCIS (Netherlands)

    Aspitarte, Lee; McCulley, Daniel R.; Bertoni, Andrea; Island, J.O.; Ostermann, Marvin; Rontani, Massimo; Steele, G.A.; Minot, Ethan D.

    2017-01-01

    Carbon nanotubes (CNTs) are a promising material for high-performance electronics beyond silicon. But unlike silicon, the nature of the transport band gap in CNTs is not fully understood. The transport gap in CNTs is predicted to be strongly driven by electron-electron (e-e) interactions and

  2. Graded band-gap engineering for increased efficiency in CZTS solar cells

    Science.gov (United States)

    Ferhati, H.; Djeffal, F.

    2018-02-01

    In this paper, we propose a potential high efficiency Cu2ZnSn(S,Se)4/CdS (CZTS) solar cell design based on graded band-gap engineering that can offer the benefits of improved absorption behavior and reduced recombination effects. Moreover, a new hybrid approach based on analytical modeling and Particle Swarm Optimization (PSO) is proposed to determinate the optimal band-gap profile of the amended CZTS absorber layer to achieve further efficiency enhancement. It is found that the proposed design exhibits superior performance, where a high efficiency of 16.9% is recorded for the optimized solar cell with a relative improvement of 92%, compared with the reference cell efficiency of 8.8%. Likewise, the optimized CZTS solar cell with a graded band-gap enables achieving a higher open circuit voltage of 889 mV, a short-circuit current of 28.5 mA and a fill factor of 66%. Therefore, the optimized CZTS-based solar cell with graded-band gap paradigm pinpoints a new path toward recording high-efficiency thin-film solar cells through enhancing carrier collection and reducing the recombination rate.

  3. Band gap engineering for graphene by using Na+ ions

    International Nuclear Information System (INIS)

    Sung, S. J.; Lee, P. R.; Kim, J. G.; Ryu, M. T.; Park, H. M.; Chung, J. W.

    2014-01-01

    Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E g ) at DP in a controlled way by depositing positively charged Na + ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na + ions is found to deplete the π* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E g . The band gap increases with increasing Na + coverage with a maximum E g ≥0.70 eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na + ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na + ions, which may play a vital role in utilizing graphene in future nano-electronic devices.

  4. Growth of Wide Band Gap II-VI Compound Semiconductors by Physical Vapor Transport

    Science.gov (United States)

    Su, Ching-Hua; Sha, Yi-Gao

    1995-01-01

    The studies on the crystal growth and characterization of II-VI wide band gap compound semiconductors, such as ZnTe, CdS, ZnSe and ZnS, have been conducted over the past three decades. The research was not quite as extensive as that on Si, III-V, or even narrow band gap II-VI semiconductors because of the high melting temperatures as well as the specialized applications associated with these wide band gap semiconductors. In the past several years, major advances in the thin film technology such as Molecular Beam Epitaxy (MBE) and Metal Organic Chemical Vapor Deposition (MOCVD) have demonstrated the applications of these materials for the important devices such as light-emitting diode, laser and ultraviolet detectors and the tunability of energy band gap by employing ternary or even quaternary systems of these compounds. At the same time, the development in the crystal growth of bulk materials has not advanced far enough to provide low price, high quality substrates needed for the thin film growth technology.

  5. The Role of Work Function and Band Gap in Resistive Switching Behaviour of ZnTe Thin Films

    Science.gov (United States)

    Rowtu, Srinu; Sangani, L. D. Varma; Krishna, M. Ghanashyam

    2018-02-01

    Resistive switching behavior by engineering the electrode work function and band gap of ZnTe thin films is demonstrated. The device structures Au/ZnTe/Au, Au/ZnTe/Ag, Al/ZnTe/Ag and Pt/ZnTe/Ag were fabricated. ZnTe was deposited by thermal evaporation and the stoichiometry and band gap were controlled by varying the source-substrate distance. Band gap could be varied between 1.0 eV to approximately 4.0 eV with the larger band gap being attributed to the partial oxidation of ZnTe. The transport characteristics reveal that the low-resistance state is ohmic in nature which makes a transition to Poole-Frenkel defect-mediated conductivity in the high-resistance states. The highest R off-to- R on ratio achieved is 109. Interestingly, depending on stoichiometry, both unipolar and bipolar switching can be realized.

  6. Phononic band gap and mechanical anisotropy in spider silk

    Science.gov (United States)

    Papadopoulos, Periklis; Gomopoulos, Nikos; Kremer, Friedrich; Fytas, George

    2010-03-01

    Spider dragline silk is a semi-crystalline biopolymer exhibiting superior properties compared to synthetic polymers with similar chemical structure, such as polyamides. This is ascribed to the hierarchical nanostructure that is created in the spinning duct. During this process the aqueous solution of the two protein constituents of dragline silk is crystallized, while the macromolecules maintain their high orientation, leading to a high value of the Young's modulus (in the order of 10 GPa) along the fiber. We employed spontaneous Brillouin light scattering to measure the longitudinal modulus (M//,,M) along the two symmetry directions of the native fiber with increased (decreased) pre-strain created by stretching (supercontracting after hydration). A strong mechanical anisotropy is found; at about 18% strain M///M˜5. Most important, an unexpected finding is the first observation of a unidirectional hypersonic phononic band gap in biological structures. This relates to the existence of a strain-dependent correlation length of the mechanical modulus in the submicron range along the fiber axis.

  7. Optimum design of band-gap beam structures

    DEFF Research Database (Denmark)

    Olhoff, Niels; Niu, Bin; Cheng, Gengdong

    2012-01-01

    The design of band-gap structures receives increasing attention for many applications in mitigation of undesirable vibration and noise emission levels. A band-gap structure usually consists of a periodic distribution of elastic materials or segments, where the propagation of waves is impeded...... or significantly suppressed for a range of external excitation frequencies. Maximization of the band-gap is therefore an obvious objective for optimum design. This problem is sometimes formulated by optimizing a parameterized design model which assumes multiple periodicity in the design. However, it is shown...... in the present paper that such an a priori assumption is not necessary since, in general, just the maximization of the gap between two consecutive natural frequencies leads to significant design periodicity. The aim of this paper is to maximize frequency gaps by shape optimization of transversely vibrating...

  8. Band gap evaluations of metal-inserted titania nanomaterials

    International Nuclear Information System (INIS)

    Bashir, Sajid; Liu, Jingbo; Zhang Hui; Sun Xuhui; Guo Jinghua

    2013-01-01

    The electronic and crystalline properties of iron-inserted titania (Fe x Ti 1−x O 2 ) nanoparticles were measured using synchrotron-based soft X-ray spectroscopy and high-temperature X-ray powder diffraction (HT-XRD). The data from X-ray absorption and emission spectroscopy were used to examine occupied and unoccupied densities of states for O 2p and Ti/Fe 3d hybrid orbital characteristics. It was found that Fe 3+ insertion resulted in an up-shift of the band gap from 3.20 to 3.46 eV. This observation reflected site occupancy in the TiO 2 lattice by Fe dopant ions. From HT-XRD Rietveld analysis, Ti occupancy was found to be 0.92 and oxygen 1.00. In addition, the crystal structure remained anatase within a temperature range of 25–800 °C, while the lattice distortion increased due to thermal expansion.

  9. Analysis of photonic band gap in novel piezoelectric photonic crystal

    Science.gov (United States)

    Malar Kodi, A.; Doni Pon, V.; Joseph Wilson, K. S.

    2018-03-01

    The transmission properties of one-dimensional novel photonic crystal having silver-doped novel piezoelectric superlattice and air as the two constituent layers have been investigated by means of transfer matrix method. By changing the appropriate thickness of the layers and filling factor of nanocomposite system, the variation in the photonic band gap can be studied. It is found that the photonic band gap increases with the filling factor of the metal nanocomposite and with the thickness of the layer. These structures possess unique characteristics enabling one to operate as optical waveguides, selective filters, optical switches, integrated piezoelectric microactuators, etc.

  10. Photonic band gaps of porous solids

    International Nuclear Information System (INIS)

    Biswas, R.; Sigalas, M. M.; Subramania, G.; Soukoulis, C. M.; Ho, K.-M.

    2000-01-01

    Colloidal inverse photonic crystals composed of ordered lattices of air spheres in a high dielectric background are found to have three-dimensional photonic gaps for face-centered cubic, hexgaonal close-packed, and double hexagonal close-packed stacking sequences. Conditions for the occurrence of the complete gap are a sufficient dielectric contrast and a geometry near close packed. Although the lower pseudogaps of these stacking sequences differ, the lowest stop band in the stacking direction is insensitive to the stacking sequence; hence their experimental reflection should be similar. Transmission calculations with structural disorder show the lower pseudogap is relatively unaffected but the higher gap is very difficult to observe with moderate disorder. (c) 2000 The American Physical Society

  11. Band gap tuning of amorphous Al oxides by Zr alloying

    DEFF Research Database (Denmark)

    Canulescu, Stela; Jones, N. C.; Borca, C. N.

    2016-01-01

    minimum changes non-linearly as well.Fitting of the energy band gap values resulted in a bowing parameter of 2 eV. The band gap bowing of themixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction bandminimum of anodized Al2O3.......The optical band gap and electronic structure of amorphous Al-Zr mixed oxides, with Zr content ranging from4.8 to 21.9% were determined using vacuum ultraviolet (VUV) and X-ray absorption spectroscopy (XAS). Thelight scattering by the nano-porous structure of alumina at low wavelengths...... was estimated based on the Miescattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on Zr content deviatesfrom linearity and decreases from 7.3 eV for pure anodized Al2O3 to 6.45 eV for Al-Zr mixed oxide with Zrcontent of 21.9%. With increasing Zr content, the conduction band...

  12. Photonic band gap engineering in 2D photonic crystals

    Indian Academy of Sciences (India)

    -dimensional photonic crystals with square lattices composed of air holes in dielectric and vice versa i.e., dielectric rods in air, using the plane-wave expansion method are investigated. We then study, how the photonic band gap size is ...

  13. Band gap tuning of amorphous Al oxides by Zr alloying

    Energy Technology Data Exchange (ETDEWEB)

    Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J. [Department of Photonics Engineering, Technical University of Denmark, 4000 Roskilde (Denmark); Jones, N. C.; Hoffmann, S. V. [ISA, Department of Physics and Astronomy, Aarhus University, 8000 Aarhus (Denmark); Borca, C. N.; Piamonteze, C. [Swiss Light Source, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Rechendorff, K.; Nielsen, L. P.; Almtoft, K. P. [Danish Technological Institute, Kongsvang Alle 29, 8000 Aarhus (Denmark); Gudla, V. C.; Bordo, K.; Ambat, R. [Department of Mechanical Engineering, Technical University of Denmark, 2800 Kgs-Lyngby (Denmark)

    2016-08-29

    The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearly as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.

  14. Band gap determination of Ni–Zn ferrites

    Indian Academy of Sciences (India)

    Nanocomposites of Ni–Zn with copolymer matrix of aniline and formaldehyde in presence of varying concentrations of zinc ions have been studied at room temperature and normal pressure. The energy band gap of these materials are determined by reflection spectra in the wavelength range 400–850 nm by ...

  15. Modelling and design of complete photonic band gaps in two ...

    Indian Academy of Sciences (India)

    In this paper, we investigate the existence and variation of complete photonic band gap size with the introduction of asymmetry in the constituent dielectric rods with honeycomb lattices in two-dimensional photonic crystals (PhC) using the plane-wave expansion (PWE) method. Two examples, one consisting of elliptical rods ...

  16. Anomalous electromagnetically induced transparency in photonic-band-gap materials

    International Nuclear Information System (INIS)

    Singh, Mahi R.

    2004-01-01

    The phenomenon of electromagnetically induced transparency has been studied when a four-level atom is located in a photonic band gap material. Quantum interference is introduced by driving the two upper levels of the atom with a strong pump laser field. The top level and one of the ground levels are coupled by a weak probe laser field and absorption takes place between these two states. The susceptibility due to the absorption for this transition has been calculated by using the master equation method in linear response theory. Numerical simulations are performed for the real and imaginary parts of the susceptibility for a photonic band gap material whose gap-midgap ratio is 21%. It is found that when resonance frequencies lie within the band, the medium becomes transparent under the action of the strong pump laser field. More interesting results are found when one of the resonance frequencies lies at the band edge and within the band gap. When the resonance frequency lies at the band edge, the medium becomes nontransparent even under a strong pump laser field. On the other hand, when the resonance frequency lies within the band gap, the medium becomes transparent even under a weak pump laser field. In summary, we found that the medium can be transformed from the transparent state to the nontransparent state just by changing the location of the resonance frequency. We call these two effects anomalous electromagnetically induced transparency

  17. Relativistic band gaps in one-dimensional disordered systems

    International Nuclear Information System (INIS)

    Clerk, G.J.; McKellar, B.H.J.

    1992-01-01

    Conditions for the existence of band gaps in a one-dimensional disordered array of δ-function potentials possessing short range order are developed in a relativistic framework. Both Lorentz vector and scalar type potentials are treated. The relationship between the energy gaps and the transmission properties of the array are also discussed. 20 refs., 2 figs

  18. Design for maximum band-gaps in beam structures

    DEFF Research Database (Denmark)

    Olhoff, Niels; Niu, Bin; Cheng, Gengdong

    2012-01-01

    This paper aims to extend earlier optimum design results for transversely vibrating Bernoulli-Euler beams by determining new optimum band-gap beam structures for (i) different combinations of classical boundary conditions, (ii) much larger values of the orders n and n-1 of adjacent upper and lower...

  19. Band gap engineering of BC2N for nanoelectronic applications

    Science.gov (United States)

    Lim, Wei Hong; Hamzah, Afiq; Ahmadi, Mohammad Taghi; Ismail, Razali

    2017-12-01

    The BC2N as an example of boron-carbon-nitride (BCN), has the analogous structure as the graphene and boron nitride. It is predicted to have controllable electronic properties. Therefore, the analytical study on the engineer-able band gap of the BC2N is carried out based on the schematic structure of BC2N. The Nearest Neighbour Tight Binding (NNTB) model is employed with the dispersion relation and the density of state (DOS) as the main band gap analysing parameter. The results show that the hopping integrals having the significant effect on the band gap, band structure and DOS of BC2N nanowire (BC2NNW) need to be taken into consideration. The presented model indicates consistent trends with the published computational results around the Dirac points with the extracted band gap of 0.12 eV. Also, it is distinguished that wide energy gap of boron nitride (BN) is successfully narrowed by this carbon doped material which assures the application of BC2N on the nanoelectronics and optoelectronics in the near future.

  20. Effect of ferromagnetic exchange field on band gap and spin ...

    Indian Academy of Sciences (India)

    Partha Goswami

    2018-02-19

    Feb 19, 2018 ... of an electric-field tunable band gap, but like graphene it is a better .... ate energy dispersion of the pristine, pure graphene. ...... The rotation is known as the Faraday .... pave the way to the efficient control of spin generation.

  1. Cation substitution induced blue-shift of optical band gap

    Indian Academy of Sciences (India)

    Cation substitution induced blue-shift of optical band gap in nanocrystalline Zn ( 1 − x ) Ca x O thin films deposited by sol–gel dip coating technique ... thin films giving 13.03% enhancement in theenergy gap value due to the electronic perturbation caused by cation substitution as well as deterioration in crystallinity.

  2. A simple solution-phase approach to synthesize high quality ternary AgInSe2 and band gap tunable quaternary AgIn(S1-xSe x)2 nanocrystals

    KAUST Repository

    Bai, Tianyu

    2014-01-01

    A facile solution-phase route for the preparation of AgInSe2 nanocrystals was developed by using silver nitrate, indium stearate, and oleylamine-selenium (OAm-Se) as precursors. The evolution process of the AgInSe2 nanocrystals is discussed in detail and different reaction conditions all have a great impact on the growth and morphology of the nanocrystals. Alloyed AgIn(S1-xSex)2 nanocrystals with controlled composition across the entire range (0 ≤ x ≤ 1) was also successfully prepared by modulating the S/Se reactant mole ratio. X-ray diffraction (XRD), energy dispersive X-ray (EDX), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) were used to confirm that the alloyed AgIn(S1-xSex)2 nanocrystals are homogeneous. The UV-vis absorption spectra revealed that the band gap energies of the alloyed AgIn(S1-xSex)2 nanocrystals could be continuously tuned by increasing the Se content. © The Royal Society of Chemistry 2014.

  3. Low band gap polymers based on 1,4-dialkoxybenzene, thiophene, bithiophene donors and the benzothiadiazole acceptor

    DEFF Research Database (Denmark)

    Carlé, Jon Eggert; Andreasen, Jens Wenzel; Jørgensen, Mikkel

    2010-01-01

    Four new copolymers of 1,4-dialkoxybenzene, thiophene, bithiophene and benzothiadiazole have been prepared and investigated for optical properties and in photovoltaic devices. The structures were chosen to show the effect of successively introducing an acceptor moiety, longer alkoxy side chains...... and finally, substituting thiophene for bithiophene. The absorption spectra and IPCE showed that these are low band gap polymers that can harvest light in the visible spectrum (400 to 700 nm) and that photoelectrons are generated in the whole range. The photovoltaic devices produced short circuit current...

  4. Correlation functions and susceptibilities of photonics band gap reservoirs

    International Nuclear Information System (INIS)

    Konopka, M.

    1998-01-01

    We investigate quantum statistical properties of photonic band gap reservoirs in terms of correlation functions and susceptibilities in time and spectral domains. Typical features are oscillations of the time-dependent correlation functions and susceptibilities. This is because photonic bad gap reservoirs are intrinsically non-Markovian reservoirs. The results help us to understand better how intrinsic quantum-statistical properties of a reservoir influence dynamics of an atom interacting with this reservoir. Boundary conditions influence time and spectral properties of the electromagnetic field. This well-known fact has a great importance in optics and generally in electromagnetism. Specific examples are resonators used in laser technique and cavity electrodynamics. In quantum optics high-Q micro cavities are used for single-atom experiments when an atom can interact in a coherent way with an electromagnetic field which has its mode structure totally different from those in free space. In particular, interaction of an (effectively) two-level atom with a single-mode cavity field was observed in the region of microwaves (with the wavelength about 1 cm). In 1987 Yablonovitch and John independently proposed that certain periodic dielectric structures can present forbidden frequency gaps (or pseudo gaps in partially disordered structures) for transverse modes. Such periodic structures were named 'photonic band structures' or 'photonic crystals', in analogy with electronic crystals which also have a (forbidden) gap for electronic energy. For true photonic crystals the basic property of blocking electromagnetic wave propagation must be fulfilled for all waves within some frequency range, i.e. for all wavevector and polarization directions

  5. Room Temperature Direct Band Gap Emission from Ge p-i-n Heterojunction Photodiodes

    Directory of Open Access Journals (Sweden)

    E. Kasper

    2012-01-01

    Full Text Available Room temperature direct band gap emission is observed for Si-substrate-based Ge p-i-n heterojunction photodiode structures operated under forward bias. Comparisons of electroluminescence with photoluminescence spectra allow separating emission from intrinsic Ge (0.8 eV and highly doped Ge (0.73 eV. Electroluminescence stems from carrier injection into the intrinsic layer, whereas photoluminescence originates from the highly n-doped top layer because the exciting visible laser wavelength is strongly absorbed in Ge. High doping levels led to an apparent band gap narrowing from carrier-impurity interaction. The emission shifts to higher wavelengths with increasing current level which is explained by device heating. The heterostructure layer sequence and the light emitting device are similar to earlier presented photodetectors. This is an important aspect for monolithic integration of silicon microelectronics and silicon photonics.

  6. Enhanced dissociation of charge-transfer states in narrow band gap polymer:fullerene solar cells processed with 1,8-octanedithiol

    NARCIS (Netherlands)

    Moet, D.J.D.; Lenes, M.; Morana, M.; Azimi, H.; Brabec, C.J.; Blom, P.W.M.

    2010-01-01

    The improved photovoltaic performance of narrow band gap polymer:fullerene solar cells processed from solutions containing small amounts of 1,8-octanedithiol is analyzed by modeling of the experimental photocurrent. In contrast to devices that are spin coated from pristine chlorobenzene, these cells

  7. Enhanced dissociation of charge-transfer states in narrow band gap polymer : fullerene solar cells processed with 1,8-octanedithiol

    NARCIS (Netherlands)

    Moet, D. J. D.; Lenes, M.; Morana, M.; Azimi, H.; Brabec, C. J.; Blom, P. W. M.

    2010-01-01

    The improved photovoltaic performance of narrow band gap polymer:fullerene solar cells processed from solutions containing small amounts of 1,8-octanedithiol is analyzed by modeling of the experimental photocurrent. In contrast to devices that are spin coated from pristine chlorobenzene, these cells

  8. Passive band-gap reconfiguration born from bifurcation asymmetry.

    Science.gov (United States)

    Bernard, Brian P; Mann, Brian P

    2013-11-01

    Current periodic structures are constrained to have fixed energy transmission behavior unless active control or component replacement is used to alter their wave propagation characteristics. The introduction of nonlinearity to generate multiple stable equilibria is an alternative strategy for realizing distinct energy propagation behaviors. We investigate the creation of a reconfigurable band-gap system by implementing passive switching between multiple stable states of equilibrium, to alter the level of energy attenuation in response to environmental stimuli. The ability to avoid potentially catastrophic loads is demonstrated by tailoring the bandpass and band-gap regions to coalesce for two stable equilibria and varying an external load parameter to trigger a bifurcation. The proposed phenomenon could be utilized in remote or autonomous applications where component modifications and active control are impractical.

  9. Coupled polaritonic band gaps in the anisotropic piezoelectric superlattices

    Science.gov (United States)

    Tang, Zheng-Hua; Jiang, Zheng-Sheng; Chen, Tao; Jiang, Chun-Zhi; Lei, Da-Jun; Huang, Jian-Quan; Qiu, Feng; Yao, Min; Huang, Xiao-Yi

    2018-01-01

    Anisotropic piezoelectric superlattices (APSs) with the periodic arrangement of polarized anisotropic piezoelectric domains in a certain direction are presented, in which the coupled polaritonic band gaps (CPBGs) can be obtained in the whole Brillouin Zone and the maximum relative bandwidth (band-gap sizes divided by their midgap frequencies) of 5.1% can be achieved. The general characteristics of the APSs are similar to those of the phononic crystals composed of two types of materials, with the main difference being the formation mechanism of the CPBGs, which originate from the couplings between lattice vibrations along two different directions and electromagnetic waves rather than from the periodical modulation of density and elastic constants. In addition, there are no lattice mismatches because the APSs are made of the same material. Thus, the APSs can also be extended to the construction of novel acousto-optic devices.

  10. Calculation of the band gap energy of ionic crystals

    International Nuclear Information System (INIS)

    Aguado, A.; Lopez, J.M.; Alonso, J.A.; Ayuela, A.; Rivas S, J.F.; Berrondo, M.

    1998-01-01

    The band gap of alkali halides, alkaline-earth oxides, Al 2 O 3 and SiO 2 crystals has been calculated using the perturbed-ion model supplemented with some assumptions for the treatment of excited states. The gap is calculated in several ways: as a difference between one-electron energy eigenvalues and as a difference between the total energies of appropriate electronic states of the crystal, both at the HF level and with inclusion of Coulomb correlation effects. The results compare well with experimental band gap energies and with other theoretical calculations, suggesting that the picture of bonding and excitation given by the model can be useful in ionic materials. (Author)

  11. Polarization catastrophe in nanostructures doped in photonic band gap materials

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Mahi R. [Department of Physics and Astronomy, University of Western Ontario, London N6A 3K7 (Canada)], E-mail: msingh@uwo.ca

    2008-11-30

    In the presence of the dipole-dipole interaction, we have studied a possible dielectric catastrophe in photonic band gap materials doped with an ensemble of four-level nanoparticles. It is found that the dielectric constant of the system has a singularity when the resonance energy lies within the bands. This phenomenon is known as the dielectric catastrophe. It is also found that this phenomenon depends on the strength of the dipole-dipole interaction.

  12. Anomalous Temperature Dependence of the Band Gap in Black Phosphorus

    OpenAIRE

    Villegas, Cesar E. P.; Rocha, A. R.; Marini, Andrea

    2016-01-01

    Black Phosphorus (BP) has gained renewed attention due to its singular anisotropic electronic and optical properties that might be exploited for a wide range of technological applications. In this respect, the thermal properties are particularly important both to predict its room temperature operation and to determine its thermoelectric potential. From this point of view, one of the most spectacular and poorly understood phenomena is, indeed, the BP temperature-induced band-gap opening: when ...

  13. Twisted bilayer blue phosphorene: A direct band gap semiconductor

    Science.gov (United States)

    Ospina, D. A.; Duque, C. A.; Correa, J. D.; Suárez Morell, Eric

    2016-09-01

    We report that two rotated layers of blue phosphorene behave as a direct band gap semiconductor. The optical spectrum shows absorption peaks in the visible region of the spectrum and in addition the energy of these peaks can be tuned with the rotational angle. These findings makes twisted bilayer blue phosphorene a strong candidate as a solar cell or photodetection device. Our results are based on ab initio calculations of several rotated blue phosphorene layers.

  14. Band Gap Grading of Stacked Cu(In,Ga)S{sub 2} Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Seonghyun; Sohn, So Hyeong; Shim, Hyeong Seop; Park, Seung Min; Song, Jae Kyu [Kyung Hee University, Seoul (Korea, Republic of); Min, Byoung Koun [Korea Institute of Science and Technology, Seoul (Korea, Republic of)

    2016-01-15

    The band gap energy of CIGS, which depends on the composition variation and strain effect, can influence the collection and recombination of photocarriers. The solar cell efficiency is improved by the graded band gap in the absorber layer due to the enhanced carrier collection and the reduced carrier recombination. In our previous study, the photovoltaic performance of solar cells was affected by the stacking combination of layers, where the solar cell with dense-bottom and porous-top layers showed better performance than that with a reversely stacked structure. We studied the stacking effect of CIGS thin films. The stacking did not change E {sub g} of each layer, which led to the double grading of E {sub g} along the depth of the stacked films, mainly due to the difference in E {sub g} between the dense and porous layers. The higher degree of the grading in A+B+A improved J {sub sc}. However, the higher density of the defect states in A+B+A reduced V {sub oc}, which was inferred by the short lifetime of the carriers and the broad bandwidth of photoluminescence. Overall, the efficiency of A+B+A was only slightly improved compared to that of B+A.

  15. Electronic materials with a wide band gap: recent developments

    Directory of Open Access Journals (Sweden)

    Detlef Klimm

    2014-09-01

    Full Text Available The development of semiconductor electronics is reviewed briefly, beginning with the development of germanium devices (band gap Eg = 0.66 eV after World War II. A tendency towards alternative materials with wider band gaps quickly became apparent, starting with silicon (Eg = 1.12 eV. This improved the signal-to-noise ratio for classical electronic applications. Both semiconductors have a tetrahedral coordination, and by isoelectronic alternative replacement of Ge or Si with carbon or various anions and cations, other semiconductors with wider Eg were obtained. These are transparent to visible light and belong to the group of wide band gap semiconductors. Nowadays, some nitrides, especially GaN and AlN, are the most important materials for optical emission in the ultraviolet and blue regions. Oxide crystals, such as ZnO and β-Ga2O3, offer similarly good electronic properties but still suffer from significant difficulties in obtaining stable and technologically adequate p-type conductivity.

  16. Band gaps in periodically magnetized homogeneous anisotropic media

    Science.gov (United States)

    Merzlikin, A. M.; Levy, M.; Vinogradov, A. P.; Wu, Z.; Jalali, A. A.

    2010-11-01

    In [A. M. Merzlikin, A. P. Vinogradov, A. V. Dorofeenko, M. Inoue, M. Levy, A. B. Granovsky, Physica B 394 (2007) 277] it is shown that in anisotropic magnetophotonic crystal made of anisotropic dielectric layers and isotropic magneto-optical layers the magnetization leads to formation of additional band gaps (BG) inside the Brillouin zones. Due to the weakness of the magneto-optical effects the width of these BG is much smaller than that of usual BG forming on the boundaries of Brillouin zones. In the present communication we show that though the anisotropy suppresses magneto-optical effects. An anisotropic magnetophotonic crystal made of anisotropic dielectric layers and anisotropic magneto-optical; the width of additional BG may be much greater than the width of the usual Brillouin BG. Anisotropy tends to suppress Brillouin zone boundary band gap formation because the anisotropy suppresses magneto-optical properties, while degenerate band gap formation occurs around points of effective isotropy and is not suppressed.

  17. Band gap engineering of indium zinc oxide by nitrogen incorporation

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, J.J., E-mail: jjosila@hotmail.com [Unidad Académica de Física, Universidad Autónoma de Zacatecas, Calzada Solidaridad esq. Paseo la Bufa, Fracc. Progreso, C.P. 98060 Zacatecas (Mexico); Doctorado Institucional de Ingeniería y Ciencia de Materiales, Universidad Autónoma de San Luis Potosí, Av. Salvador Nava, Zona Universitaria, C.P. 78270 San Luis Potosí (Mexico); Aguilar-Frutis, M.A.; Alarcón, G. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada del Instituto Politécnico Nacional, Unidad Legaría, Calz. Legaría No. 694, Col. Irrigación, C.P. 11500 México D.F. (Mexico); Falcony, C. [Departamento de Física, Centro de Investigación y Estudios Avanzados del Instituto Politécnico Nacional campus Zacatenco, Av. Instituto Politécnico Nacional 2508, Col. San Pedro Zacatenco, C.P. 07360 México D.F. (Mexico); and others

    2014-09-15

    Highlights: • IZON thin films were deposited by RF reactive sputtering at room temperature. • The effects of nitrogen on physical properties of IZO were analyzed. • Optical properties of IZON were studied by SE and UV–vis spectroscopy. • Adachi and classical parameters were quantitative and qualitatively congruent. • Nitrogen induces a gradual narrowing band gap from 3.5 to 2.5 eV on IZON films. - Abstract: The effects of nitrogen incorporation in indium zinc oxide films, as grown by RF reactive magnetron sputtering, on the structural, electrical and optical properties were studied. It was determined that the variation of the N{sub 2}/Ar ratio, in the reactive gas flux, was directly proportional to the nitrogen percentage measured in the sample, and the incorporated nitrogen, which substituted oxygen in the films induces changes in the band gap of the films. This phenomenon was observed by measurement of absorption and transmission spectroscopy in conjunction with spectral ellipsometry. To fit the ellipsometry spectra, the classical and Adachi dispersion models were used. The obtained optical parameters presented notable changes related to the increment of the nitrogen in the film. The band gap narrowed from 3.5 to 2.5 eV as the N{sub 2}/Ar ratio was increased. The lowest resistivity obtained for these films was 3.8 × 10{sup −4} Ω cm with a carrier concentration of 5.1 × 10{sup 20} cm{sup −3}.

  18. Band gap engineering of indium zinc oxide by nitrogen incorporation

    International Nuclear Information System (INIS)

    Ortega, J.J.; Aguilar-Frutis, M.A.; Alarcón, G.; Falcony, C.

    2014-01-01

    Highlights: • IZON thin films were deposited by RF reactive sputtering at room temperature. • The effects of nitrogen on physical properties of IZO were analyzed. • Optical properties of IZON were studied by SE and UV–vis spectroscopy. • Adachi and classical parameters were quantitative and qualitatively congruent. • Nitrogen induces a gradual narrowing band gap from 3.5 to 2.5 eV on IZON films. - Abstract: The effects of nitrogen incorporation in indium zinc oxide films, as grown by RF reactive magnetron sputtering, on the structural, electrical and optical properties were studied. It was determined that the variation of the N 2 /Ar ratio, in the reactive gas flux, was directly proportional to the nitrogen percentage measured in the sample, and the incorporated nitrogen, which substituted oxygen in the films induces changes in the band gap of the films. This phenomenon was observed by measurement of absorption and transmission spectroscopy in conjunction with spectral ellipsometry. To fit the ellipsometry spectra, the classical and Adachi dispersion models were used. The obtained optical parameters presented notable changes related to the increment of the nitrogen in the film. The band gap narrowed from 3.5 to 2.5 eV as the N 2 /Ar ratio was increased. The lowest resistivity obtained for these films was 3.8 × 10 −4 Ω cm with a carrier concentration of 5.1 × 10 20 cm −3

  19. Ultrawide band gap amorphous oxide semiconductor, Ga–Zn–O

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Junghwan, E-mail: JH.KIM@lucid.msl.titech.ac.jp [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Miyokawa, Norihiko; Sekiya, Takumi; Ide, Keisuke [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Toda, Yoshitake [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Mailbox SE-6, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Hiramatsu, Hidenori; Hosono, Hideo; Kamiya, Toshio [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, Mailbox SE-6, 4259 Nagatsuta, Midori-ku, Yokohama (Japan)

    2016-09-01

    We fabricated amorphous oxide semiconductor films, a-(Ga{sub 1–x}Zn{sub x})O{sub y}, at room temperature on glass, which have widely tunable band gaps (E{sub g}) ranging from 3.47–4.12 eV. The highest electron Hall mobility ~ 7 cm{sup 2} V{sup −1} s{sup −1} was obtained for E{sub g} = ~ 3.8 eV. Ultraviolet photoemission spectroscopy revealed that the increase in E{sub g} with increasing the Ga content comes mostly from the deepening of the valence band maximum level while the conduction band minimum level remains almost unchanged. These characteristics are explained by their electronic structures. As these films can be fabricated at room temperature on plastic, this achievement extends the applications of flexible electronics to opto-electronic integrated circuits associated with deep ultraviolet region. - Highlights: • Incorporation of H/H{sub 2}O stabilizes the amorphous phase. • Ultrawide band gap (~ 3.8 eV) amorphous oxide semiconductor was fabricated. • The increase in band gap comes mostly from the deepening of the valence band maximum level. • Donor level is more likely aligned to the valence band maximum level.

  20. Band Gap Optimization Design of Photonic Crystals Material

    Science.gov (United States)

    Yu, Y.; Yu, B.; Gao, X.

    2017-12-01

    The photonic crystal has a fundamental characteristic - photonic band gap, which can prevent light to spread in the crystals. This paper studies the width variation of band gaps of two-dimension square lattice photonic crystals by changing the geometrical shape of the unit cells’ inner medium column. Using the finite element method, we conduct numerical experiments on MATLAB 2012a and COMSOL 3.5. By shortening the radius in vertical axis and rotating the medium column, we design a new unit cell, with a 0.3*3.85e-7 vertical radius and a 15 degree deviation to the horizontal axis. The new cell has a gap 1.51 percent wider than the circle medium structure in TE gap and creates a 0.0124 wide TM gap. Besides, the experiment shows the first TM gap is partially overlapped by the second TE gap in gap pictures. This is helpful to format the absolute photonic band gaps and provides favorable theoretical basis for designing photonic communication material.

  1. Fabrication of Ceramic Layer-by-Layer Infrared Wavelength Photonic Band Gap Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Henry Hao-Chuan [Iowa State Univ., Ames, IA (United States)

    2004-12-19

    Photonic band gap (PBG) crystals, also known as photonic crystals, are periodic dielectric structures which form a photonic band gap that prohibit the propagation of electromagnetic (EM) waves of certain frequencies at any incident angles. Photonic crystals have several potential applications including zero-threshold semiconductor lasers, the inhibition of spontaneous emission, dielectric mirrors, and wavelength filters. If defect states are introduced in the crystals, light can be guided from one location to another or even a sharp bending of light in micron scale can be achieved. This generates the potential for optical waveguide and optical circuits, which will contribute to the improvement in the fiber-optic communications and the development of high-speed computers.

  2. Contributions of oxygen vacancies and titanium interstitials to band-gap states of reduced titania

    Science.gov (United States)

    Li, Jingfeng; Lazzari, Rémi; Chenot, Stéphane; Jupille, Jacques

    2018-01-01

    The spectroscopic fingerprints of the point defects of titanium dioxide remain highly controversial. Seemingly indisputable experiments lead to conflicting conclusions in which oxygen vacancies and titanium interstitials are alternately referred to as the primary origin of the Ti 3 d band-gap states. We report on experiments performed by electron energy loss spectroscopy whose key is the direct annealing of only the very surface of rutile TiO2(110 ) crystals and the simultaneous measurement of its temperature via the Bose-Einstein loss/gain ratio. By surface preparations involving reactions with oxygen and water vapor, in particular, under electron irradiation, vacancy- and interstitial-related band-gap states are singled out. Off-specular measurements reveal that both types of defects contribute to a unique charge distribution that peaks in subsurface layers with a common dispersive behavior.

  3. Nature of the fundamental band gap in GaNxP1-x alloys

    International Nuclear Information System (INIS)

    Shan, W.; Walukiewicz, W.; Yu, K. M.; Wu, J.; Ager, J. W. III; Haller, E. E.; Xin, H. P.; Tu, C. W.

    2000-01-01

    The optical properties of GaN x P 1-x alloys (0.007≤x≤0.031) grown by gas-source molecular-beam epitaxy have been studied. An absorption edge appears in GaN x P 1-x at energy below the indirect Γ V -X C transition in GaP, and the absorption edge shifts to lower energy with increasing N concentration. Strong photomodulation signals associated with the absorption edges in GaN x P 1-x indicate that a direct fundamental optical transition is taking place, revealing that the fundamental band gap has changed from indirect to direct. This N-induced transformation from indirect to direct band gap is explained in terms of an interaction between the highly localized nitrogen states and the extended states at the Γ conduction-band minimum. (c) 2000 American Institute of Physics

  4. On the perspectives of wide-band gap power devices in electronic-based power conversion for renewable systems

    Energy Technology Data Exchange (ETDEWEB)

    Vasconcelos Araujo, Samuel

    2013-10-01

    The high breakdown field from WBG materials allows the construction of unipolar devices with very low specific chip resistance mainly characterized by very low conduction and switching losses, even at high blocking voltages. Suitable concepts for SiC and GaN range from traditional FET structures driven by a MOS interface or a PN-Junction, bipolar devices and even high-electron mobility transistors (HEMT). A detailed revision of the literature will be performed in this work with the objective of providing a broad overview of possible approaches, along with inherent advantages and limitations. In addition to this, a benchmarking of several SiC-based devices technologies rated for 1200 V and 1700 V will be performed against their state-of-the-art Silicon-counterparts. Concerning the application of wide band gap devices in renewable energy systems, a significant cost reduction potential can be obtained due to smaller expenditure with magnetic filters and cooling, alongside higher efficiency levels. These aspects will be discussed in details in order to identify constraints and bottlenecks at application level with special focus on photovoltaic and wind power systems.

  5. Enhanced optical band-gap of ZnO thin films by sol-gel technique

    Energy Technology Data Exchange (ETDEWEB)

    Raghu, P., E-mail: dpr3270@gmail.com; Naveen, C. S.; Shailaja, J.; Mahesh, H. M., E-mail: hm-mahesh@rediffmail.com [Thin Film and Solar Cell Laboratory, Department of Electronic Science, Bangalore University, Jnanabharathi, Bangalore -560056 (India)

    2016-05-06

    Transparent ZnO thin films were prepared using different molar concentration (0.1 M, 0.2 M & 0.8 M) of zinc acetate on soda lime glass substrates by the sol-gel spin coating technique. The optical properties revealed that the transmittance found to decrease with increase in molar concentration. Absorption edge showed that the higher concentration film has increasingly red shifted. An increased band gap energy of the thin films was found to be direct allowed transition of ∼3.9 eV exhibiting their relevance for photovoltaic applications. The extinction coefficient analysis revealed maximum transmittance with negligible absorption coefficient in the respective wavelengths. The results of ZnO thin film prepared by sol-gel technique reveal its suitability for optoelectronics and as a window layer in solar cell applications.

  6. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    Energy Technology Data Exchange (ETDEWEB)

    Vos, M. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Marmitt, G. G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Finkelstein, Y. [Nuclear Research Center — Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  7. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    International Nuclear Information System (INIS)

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-01-01

    Reflection electron energy loss spectra from some insulating materials (CaCO 3 , Li 2 CO 3 , and SiO 2 ) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO 2 , good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E gap ) 1.5 . For CaCO 3 , the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li 2 CO 3 (7.5 eV) is the first experimental estimate

  8. Absolute photonic band gap in 2D honeycomb annular photonic crystals

    International Nuclear Information System (INIS)

    Liu, Dan; Gao, Yihua; Tong, Aihong; Hu, Sen

    2015-01-01

    Highlights: • A two-dimensional honeycomb annular photonic crystal (PC) is proposed. • The absolute photonic band gap (PBG) is studied. • Annular PCs show larger PBGs than usual air-hole PCs for high refractive index. • Annular PCs with anisotropic rods show large PBGs for low refractive index. • There exist optimal parameters to open largest band gaps. - Abstract: Using the plane wave expansion method, we investigate the effects of structural parameters on absolute photonic band gap (PBG) in two-dimensional honeycomb annular photonic crystals (PCs). The results reveal that the annular PCs possess absolute PBGs that are larger than those of the conventional air-hole PCs only when the refractive index of the material from which the PC is made is equal to 4.5 or larger. If the refractive index is smaller than 4.5, utilization of anisotropic inner rods in honeycomb annular PCs can lead to the formation of larger PBGs. The optimal structural parameters that yield the largest absolute PBGs are obtained

  9. Joint density of states of wide-band-gap materials by electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Fan, X.D.; Peng, J.L.; Bursill, L.A.

    1998-01-01

    Kramers-Kronig analysis for parallel electron energy loss spectroscopy (PEELS) data is developed as a software package. When used with a JEOL 4000EX high-resolution transmission electron microscope (HRTEM) operating at 100 keV this allows us to obtain the dielectric function of relatively wide band gap materials with an energy resolution of approx 1.4 eV. The imaginary part of the dielectric function allows the magnitude of the band gap to be determined as well as the joint-density-of-states function. Routines for obtaining three variations of the joint-density of states function, which may be used to predict the optical and dielectric response for angle-resolved or angle-integration scattering geometries are also described. Applications are presented for diamond, aluminum nitride (AlN), quartz (SiO 2 ) and sapphire (Al 2 O 3 ). The results are compared with values of the band gap and density of states results for these materials obtained with other techniques. (authors)

  10. Electrical transport and optical band gap of NiFe2Ox thin films

    Science.gov (United States)

    Bougiatioti, Panagiota; Manos, Orestis; Klewe, Christoph; Meier, Daniel; Teichert, Niclas; Schmalhorst, Jan-Michael; Kuschel, Timo; Reiss, Günter

    2017-12-01

    We fabricated NiFe2Ox thin films on MgAl2O4(001) by reactive dc magnetron co-sputtering varying the oxygen partial pressure. The fabrication of a material with a variable oxygen deficiency leads to controllable electrical and optical properties which are beneficial for the investigations of the transport phenomena and could, therefore, promote the use of such materials in spintronic and spin caloritronic applications. We used several characterization techniques to investigate the film properties, focusing on their structural, magnetic, electrical, and optical properties. From the electrical resistivity, we obtained the conduction mechanisms that govern the systems in the high and low temperature regimes. We further extracted low thermal activation energies which unveil extrinsic transport mechanisms. The thermal activation energy decreases in the less oxidized samples revealing the pronounced contribution of a large amount of electronic states localized in the band gap to the electrical conductivity. The Hall coefficient is negative and decreases with increasing conductivity as expected for n-type conduction, while the Hall- and the drift mobilities show a large difference. The optical band gaps were determined via ultraviolet-visible spectroscopy. They follow a similar trend as the thermal activation energies, with lower band gap values in the less oxidized samples.

  11. Structural analysis, electronic properties, and band gaps of a graphene nanoribbon: A new 2D materials

    Science.gov (United States)

    Dass, Devi

    2018-03-01

    Graphene nanoribbon (GNR), a new 2D carbon nanomaterial, has some unique features and special properties that offer a great potential for interconnect, nanoelectronic devices, optoelectronics, and nanophotonics. This paper reports the structural analysis, electronic properties, and band gaps of a GNR considering different chirality combinations obtained using the pz orbital tight binding model. In structural analysis, the analytical expressions for GNRs have been developed and verified using the simulation for the first time. It has been found that the total number of unit cells and carbon atoms within an overall unit cell and molecular structure of a GNR have been changed with the change in their chirality values which are similar to the values calculated using the developed analytical expressions thus validating both the simulation as well as analytical results. Further, the electronic band structures at different chirality values have been shown for the identification of metallic and semiconductor properties of a GNR. It has been concluded that all zigzag edge GNRs are metallic with very small band gaps range whereas all armchair GNRs show both the metallic and semiconductor nature with very small and high band gaps range. Again, the total number of subbands in each electronic band structure is equal to the total number of carbon atoms present in overall unit cell of the corresponding GNR. The semiconductors GNRs can be used as a channel material in field effect transistor suitable for advanced CMOS technology whereas the metallic GNRs could be used for interconnect.

  12. Modeling of Photonic Band Gap Crystals and Applications

    Energy Technology Data Exchange (ETDEWEB)

    El-Kady, Ihab Fathy [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    In this work, the authors have undertaken a theoretical approach to the complex problem of modeling the flow of electromagnetic waves in photonic crystals. The focus is to address the feasibility of using the exciting phenomena of photonic gaps (PBG) in actual applications. The authors start by providing analytical derivations of the computational electromagnetic methods used in their work. They also present a detailed explanation of the physics underlying each approach, as well as a comparative study of the strengths and weaknesses of each method. The Plane Wave expansion, Transfer Matrix, and Finite Difference time Domain Methods are addressed. They also introduce a new theoretical approach, the Modal Expansion Method. They then shift the attention to actual applications. They begin with a discussion of 2D photonic crystal wave guides. The structure addressed consists of a 2D hexagonal structure of air cylinders in a layered dielectric background. Comparison with the performance of a conventional guide is made, as well as suggestions for enhancing it. The studies provide an upper theoretical limit on the performance of such guides, as they assumed no crystal imperfections and non-absorbing media. Next, they study 3D metallic PBG materials at near infrared and optical wavelengths. The main objective is to study the importance of absorption in the metal and the suitability of observing photonic band gaps in such structures. They study simple cubic structures where the metallic scatters are either cubes or interconnected metallic rods. Several metals are studied (aluminum, gold, copper, and silver). The effect of topology is addressed and isolated metallic cubes are found to be less lossy than the connected rod structures. The results reveal that the best performance is obtained by choosing metals with a large negative real part of the dielectric function, together with a relatively small imaginary part. Finally, they point out a new direction in photonic crystal

  13. Impact ionisation rate calculations in wide band gap semiconductors

    International Nuclear Information System (INIS)

    Harrison, D.

    1998-09-01

    Calculations of band-to-band impact ionisation rates performed in the semi-classical Fermi's Golden Rule approximation are presented here for the semiconductors GaAs, In 0.53 Ga 0.47 As and Si 0.5 Ge 0.5 at 300K. The crystal band structure is calculated using the empirical pseudopotential method. To increase the speed with which band structure data at arbitrary k-vectors can be obtained, an interpolation scheme has been developed. Energies are quadratically interpolated on adapted meshes designed to ensure accuracy is uniform throughout the Brillouin zone, and pseudowavefunctions are quadratically interpolated on a regular mesh. Matrix elements are calculated from the pseudowavefunctions, and include the terms commonly neglected in calculations for narrow band gap materials and an isotropic approximation to the full wavevector and frequency dependent dielectric function. The numerical integration of the rate over all distinct energy and wavevector conserving transitions is performed using two different algorithms. Results from each are compared and found to be in good agreement, indicating that the algorithms are reliable. The rates for electrons and holes in each material are calculated as functions of the k-vector of the impacting carriers, and found to be highly anisotropic. Average rates for impacting carriers at a given energy are calculated and fitted to Keldysh-type expressions with higher than quadratic dependence of the rate on energy above threshold being obtained in all cases. The average rates calculated here are compared to results obtained by other workers, with reasonable agreement being obtained for GaAs, and poorer agreement obtained for InGaAs and SiGe. Possible reasons for the disagreement are investigated. The impact ionisation thresholds are examined and k-space and energy distributions of generated carriers are determined. The role of threshold anisotropy, variation in the matrix elements and the shape of the bands in determining

  14. Effect of hydrogenation on the band gap of graphene nano-flakes

    International Nuclear Information System (INIS)

    Tachikawa, Hiroto; Iyama, Tetsuji; Kawabata, Hiroshi

    2014-01-01

    The effects of hydrogenation on the band gap of graphene have been investigated by means of density functional theory method. It is generally considered that the band gap increases with increasing coverage of hydrogen atom on the graphene. However, the present study shows that the band gap decreases first with increasing hydrogen coverage and reaches the lowest value at finite coverage (γ = 0.3). Next, the band gap increases to that of insulator with coverage from 0.3 to 1.0. This specific feature of the band gap is reasonably explained by broken symmetry model and the decrease of pi-conjugation. The electronic states of hydrogenated graphene are discussed. - Highlights: • Density functional theory calculations were carried out for hydrogen on graphene • Effects of hydrogenation on the band gap of graphene were examined. • The band gap showed a minimum at a finite coverage. • Mechanism of specific band gap feature was discussed

  15. Influence of humidity on the graphene band gap

    International Nuclear Information System (INIS)

    Zakaryan, H.A.; Aroutiounian, V.M.

    2015-01-01

    Influences of the humidity on graphene properties are studied and comparisons of graphene and polymer humidity sensors are carried out. Graphene sensors have remarkable response compare to nanoporous polymer membranes. The resistance of polymer sensors is 150 GOhm and decreases in 7.5 times at 60 per cent of the relative humidity. For graphene, resistance drops 4 times starting from ~100 kOhm. This is connected with the extension of graphene band gap. The reason of this is adsorbed water, which can create defects in the lattice or can transfer charge which depends on relative position of HOMO/LUMO of water and Dirac point of graphene

  16. Flexible design of band gaps in the biopolymer photonic crystals

    International Nuclear Information System (INIS)

    Savić-Šević, S

    2012-01-01

    One-dimensional photonic crystals (PC) are fabricated in dichromate-sensitized biopolymer as volume holograms. The flexibility of the PC band gap (BG) parameters was investigated. The spectral position of a BG can be varied by changing the exposure for two concentrations of sensitizer during the fabrication process. The spectral measurements show that the BG centre shifts towards longer wavelengths with decreasing exposure and concentration of the sensitizer. A tuning of the position of the BG for about 120 nm was obtained.

  17. Fabrication of a three-dimensional photonic band-gap crystal of air-spheres in a titania matrix

    Science.gov (United States)

    Diop, M.; Maurin, G.; Tork, Amir; Lessard, Roger A.

    2003-02-01

    A three-dimensional (3D) colloidal crystal have been grown from an aqueous colloidal solution of highly monodisperse submicrometer-sized polystyrene spheres using a self-assembly processing technique. The electromagnetic waves diffracted by this crystal can interfere and give rise to a photonic band-gap. However, due to the low refractive index contrast within this material the band-gap is incomplete. By filling the voids between the spheres of the colloidal crystal with titania and removing the polystyrene beads by sublimation, we obtained an inverse-opal structure with an increased refractive index contrast showing strong opalescence.

  18. Mechanism of photonic band gap, optical properties, tuning and applications

    International Nuclear Information System (INIS)

    Tiwari, A.; Johri, M.

    2006-05-01

    Mechanism of occurrence of Photonic Band Gap (PBG) is presented for 3-D structure using close packed face centered cubic lattice. Concepts and our work, specifically optical properties of 3-D photonic crystal, relative width, filling fraction, effective refractive index, alternative mechanism of photonic band gap scattering strength and dielectric contrast, effect of fluctuations and minimum refractive index contrast, are reported. The temperature tuning and anisotropy of nematic and ferroelectric liquid crystal infiltrated opal for different phase transitions are given. Effective dielectric constant with filling fraction using Maxwell Garnet theory (MG), multiple modified Maxwell Garnet (MMMG) and Effective Medium theory (EM) and results are compared with experiment to understand the occurrence of PBG. Our calculations of Lamb shifts including fluctuations are given and compared with those of literature values. We have also done band structure calculations including anisotropy and compared isotropic characteristic of liquid crystal. A possibility of lowest refractive index contrast useful for the fabrication of PBG is given. Our calculations for relative width as a function of refractive index contrast are reported and comparisons with existing theoretical and experimental optimal values are briefed. Applications of photonic crystals are summarized. The investigations conducted on PBG materials and reported here may pave the way for understanding the challenges in the field of PBG. (author)

  19. Sub-band-gap absorption in Ga2O3

    Science.gov (United States)

    Peelaers, Hartwin; Van de Walle, Chris G.

    2017-10-01

    β-Ga2O3 is a transparent conducting oxide that, due to its large bandgap of 4.8 eV, exhibits transparency into the UV. However, the free carriers that enable the conductivity can absorb light. We study the effect of free carriers on the properties of Ga2O3 using hybrid density functional theory. The presence of free carriers leads to sub-band-gap absorption and a Burstein-Moss shift in the onset of absorption. We find that for a concentration of 1020 carriers, the Fermi level is located 0.23 eV above the conduction-band minimum. This leads to an increase in the electron effective mass from 0.27-0.28 me to 0.35-0.37 me and a sub-band-gap absorption band with a peak value of 0.6 × 103 cm-1 at 3.37 eV for light polarized along the x or z direction. Both across-the-gap and free-carrier absorption depend strongly on the polarization of the incoming light. We also provide parametrizations of the conduction-band shape and the effective mass as a function of the Fermi level.

  20. Band-structure tailoring and surface passivation for highly efficient near-infrared responsive PbS quantum dot photovoltaics

    Science.gov (United States)

    Zhou, Ru; Niu, Haihong; Ji, Fengwei; Wan, Lei; Mao, Xiaoli; Guo, Huier; Xu, Jinzhang; Cao, Guozhong

    2016-11-01

    PbS is a promising light harvester for near-infrared (NIR) responsive quantum dot (QD) photovoltaics due to its narrow bulk band gap (0.41 eV) and large exciton Bohr radius (18 nm). However, the relatively low conduction band (CB) and high-density surface defects of PbS as two major drawbacks for its use in solar cells severely hamper the photovoltaic performance enhancement. In this work, a modified solution-based successive ionic layer adsorption and reaction (SILAR) utilizing mixed cationic precursors of Pb2+ and Cd2+ is explored, and such a scheme offers two benefits, band-structure tailoring and surface passivation. In-situ deposited CdS suppresses the excessive growth of PbS in the mesopores, thereby facilitating the favorable electron injection from PbS to TiO2 in view of the up-shifted CB level of QDs; the intimate interpenetration of two sulfides with each other leads to superior passivation of trap state defects on PbS, which suppresses the interfacial charge recombination. With the construction of photovoltaics based on such a hybrid (Pb,Cd)S/CdS configuration, impressive power conversion efficiency up to 4.08% has been reached, outperforming that of the conventional PbS/CdS pattern (2.95%). This work highlights the great importance of band-structure tailoring and surface passivation for constructing highly efficient PbS QD photovoltaics.

  1. Research on low-frequency band gap property of a hybrid phononic crystal

    Science.gov (United States)

    Dong, Yake; Yao, Hong; Du, Jun; Zhao, Jingbo; Chao, Ding; Wang, Benchi

    2018-05-01

    A hybrid phononic crystal has been investigated. The characteristic frequency of XY mode, transmission loss and displacement vector have been calculated by the finite element method. There are Bragg scattering band gap and local resonance band gap in the band structures. We studied the influence factors of band gap. There are many flat bands in the eigenfrequencies curve. There are many flat bands in the curve. The band gap covers a large range in low frequency. The band gaps cover more than 95% below 3000 Hz.

  2. Opening complete band gaps in two dimensional locally resonant phononic crystals

    Science.gov (United States)

    Zhou, Xiaoling; Wang, Longqi

    2018-05-01

    Locally resonant phononic crystals (LRPCs) which have low frequency band gaps attract a growing attention in both scientific and engineering field recently. Wide complete locally resonant band gaps are the goal for researchers. In this paper, complete band gaps are achieved by carefully designing the geometrical properties of the inclusions in two dimensional LRPCs. The band structures and mechanisms of different types of models are investigated by the finite element method. The translational vibration patterns in both the in-plane and out-of-plane directions contribute to the full band gaps. The frequency response of the finite periodic structures demonstrate the attenuation effects in the complete band gaps. Moreover, it is found that the complete band gaps can be further widened and lowered by increasing the height of the inclusions. The tunable properties by changing the geometrical parameters provide a good way to open wide locally resonant band gaps.

  3. Optical isolation based on space-time engineered asymmetric photonic band gaps

    Science.gov (United States)

    Chamanara, Nima; Taravati, Sajjad; Deck-Léger, Zoé-Lise; Caloz, Christophe

    2017-10-01

    Nonreciprocal electromagnetic devices play a crucial role in modern microwave and optical technologies. Conventional methods for realizing such systems are incompatible with integrated circuits. With recent advances in integrated photonics, the need for efficient on-chip magnetless nonreciprocal devices has become more pressing than ever. This paper leverages space-time engineered asymmetric photonic band gaps to generate optical isolation. It shows that a properly designed space-time modulated slab is highly reflective/transparent for opposite directions of propagation. The corresponding design is magnetless, accommodates low modulation frequencies, and can achieve very high isolation levels. An experimental proof of concept at microwave frequencies is provided.

  4. ZnO-based semiconductors with tunable band gap for solar sell applications

    Science.gov (United States)

    Itagaki, N.; Matsushima, K.; Yamashita, D.; Seo, H.; Koga, K.; Shiratani, M.

    2014-03-01

    In this study, we discuss the potential advantages of a new ZnO-based semiconductor, ZnInON (ZION), for application in multi quantum-well (MQW) photovoltaics. ZION is a pseudo-binary alloy of ZnO and InN, which has direct and tunable band gaps over the entire visible spectrum. It was found from simulation results that owing to the large piezoelectric constant, the spatial overlap of the electron and hole wave functions in the QWs is significantly small on the order of 10-2, where the strong piezoelectric field enhances the separation of photo generated carriers. As a result, ZION QWs have low carrier recombination rate of 1014-1018 cm-3s-1, which is much lower than that in conventional QWs such as InGaAs/GaAs QW (1019 cm-3s-1) and InGaN/GaN QW (1018-1018 cm-3s-1). The long carrier life time in ZION QWs (˜1μs) should enable the extraction of photo-generated carriers from well layers before the recombination, and thus increase Voc and Jsc. These simulation results are consistent with our experimental data showing that both Voc and Jsc of a p-i-n solar cell with strained ZION MQWs and thus the efficiency were increased by the superimposition of laser light with lower photon energy than the band gap energy of the QWs. Since the laser light contributed not to carrier generation but to the carrier extraction from the QWs, and no increase in Voc and Jsc was observed for relaxed ZION MQWs, the improvement in the efficiency was attributed to the long carrier lifetime in the strained ZION QWs.

  5. Band gap bowing in quaternary nitride semiconducting alloys

    DEFF Research Database (Denmark)

    Gorczyka, Isabela; Suski, T.; Christensen, Niels Egede

    2011-01-01

    Structural properties of InxGayAl1−x−yN alloys are derived from total-energy minimization within the local-density approximation (LDA). The electronic properties are studied by band structure calculations including a semiempirical correction for the “LDA gap error.” The effects of varying...... the composition and atomic arrangements are examined using a supercell geometry. An analytical expression for the band gap is derived for the entire range of compositions. The range of (x, y) values for which InxGayAl1−x−yN is lattice matched to GaN, and the ensuing energy gaps, are given. This range of available...... gaps becomes smaller when In atoms form clusters. Comparison to experimental data is made....

  6. Engineering the hypersonic phononic band gap of hybrid Bragg stacks.

    Science.gov (United States)

    Schneider, Dirk; Liaqat, Faroha; El Boudouti, El Houssaine; El Hassouani, Youssef; Djafari-Rouhani, Bahram; Tremel, Wolfgang; Butt, Hans-Jürgen; Fytas, George

    2012-06-13

    We report on the full control of phononic band diagrams for periodic stacks of alternating layers of poly(methyl methacrylate) and porous silica combining Brillouin light scattering spectroscopy and theoretical calculations. These structures exhibit large and robust on-axis band gaps determined by the longitudinal sound velocities, densities, and spacing ratio. A facile tuning of the gap width is realized at oblique incidence utilizing the vector nature of the elastic wave propagation. Off-axis propagation involves sagittal waves in the individual layers, allowing access to shear moduli at nanoscale. The full theoretical description discerns the most important features of the hypersonic one-dimensional crystals forward to a detailed understanding, a precondition to engineer dispersion relations in such structures.

  7. Analysis of photonic band-gap structures in stratified medium

    DEFF Research Database (Denmark)

    Tong, Ming-Sze; Yinchao, Chen; Lu, Yilong

    2005-01-01

    in electromagnetic and microwave applications once the Maxwell's equations are appropriately modeled. Originality/value - The method validates its values and properties through extensive studies on regular and defective 1D PBG structures in stratified medium, and it can be further extended to solving more......Purpose - To demonstrate the flexibility and advantages of a non-uniform pseudo-spectral time domain (nu-PSTD) method through studies of the wave propagation characteristics on photonic band-gap (PBG) structures in stratified medium Design/methodology/approach - A nu-PSTD method is proposed...... in solving the Maxwell's equations numerically. It expands the temporal derivatives using the finite differences, while it adopts the Fourier transform (FT) properties to expand the spatial derivatives in Maxwell's equations. In addition, the method makes use of the chain-rule property in calculus together...

  8. Optical Frequency Optimization of a High Intensity Laser Power Beaming System Utilizing VMJ Photovoltaic Cells

    Science.gov (United States)

    Raible, Daniel E.; Dinca, Dragos; Nayfeh, Taysir H.

    2012-01-01

    An effective form of wireless power transmission (WPT) has been developed to enable extended mission durations, increased coverage and added capabilities for both space and terrestrial applications that may benefit from optically delivered electrical energy. The high intensity laser power beaming (HILPB) system enables long range optical 'refueling" of electric platforms such as micro unmanned aerial vehicles (MUAV), airships, robotic exploration missions and spacecraft platforms. To further advance the HILPB technology, the focus of this investigation is to determine the optimal laser wavelength to be used with the HILPB receiver, which utilizes vertical multi-junction (VMJ) photovoltaic cells. Frequency optimization of the laser system is necessary in order to maximize the conversion efficiency at continuous high intensities, and thus increase the delivered power density of the HILPB system. Initial spectral characterizations of the device performed at the NASA Glenn Research Center (GRC) indicate the approximate range of peak optical-to-electrical conversion efficiencies, but these data sets represent transient conditions under lower levels of illumination. Extending these results to high levels of steady state illumination, with attention given to the compatibility of available commercial off-the-shelf semiconductor laser sources and atmospheric transmission constraints is the primary focus of this paper. Experimental hardware results utilizing high power continuous wave (CW) semiconductor lasers at four different operational frequencies near the indicated band gap of the photovoltaic VMJ cells are presented and discussed. In addition, the highest receiver power density achieved to date is demonstrated using a single photovoltaic VMJ cell, which provided an exceptionally high electrical output of 13.6 W/sq cm at an optical-to-electrical conversion efficiency of 24 percent. These results are very promising and scalable, as a potential 1.0 sq m HILPB receiver of

  9. CZTS stoichiometry effects on the band gap energy

    International Nuclear Information System (INIS)

    Malerba, Claudia; Biccari, Francesco; Azanza Ricardo, Cristy Leonor; Valentini, Matteo; Chierchia, Rosa; Müller, Melanie; Santoni, Antonino; Esposito, Emilia; Mangiapane, Pietro; Scardi, Paolo; Mittiga, Alberto

    2014-01-01

    Highlights: • CZTS films with different compositions were grown from stacked-layer precursors. • The band-gap energy varies from 1.48 to 1.63 eV as the [Sn]/[Cu] ratio increases. • The Zn content seems not to be a critical parameter for the optical properties. • PDS data show an increase of the sub-gap absorption as the Sn content is reduced. • Formation of defects at low Sn content was proposed to explain the Eg variation. -- Abstract: The considerable spread of Cu 2 ZnSnS 4 (CZTS) optical properties reported in the literature is discussed in terms of material stoichiometry. To this purpose, kesterite thin films were prepared by sulfurization of multilayered precursors of ZnS, Cu and Sn, changing the relative amounts to obtain CZTS layers with different compositions. X-Ray Diffraction (XRD), Energy Dispersive X-Ray (EDX) spectroscopy, X-Ray Photoelectron Spectroscopy (XPS) and Raman spectroscopy were used for structural and compositional analysis. XRD quantitative phase analysis provides the amount of spurious phases and information on Sn-site occupancy. The optical properties were investigated by spectrophotometric and Photothermal Deflection Spectroscopy (PDS) measurements to assess the absorption coefficient of samples with different compositions. The PDS data show an increase of the sub-band absorption as the Sn content decreases. The results are interpreted assuming the formation of additional defects as the tin content is reduced. Those defects can also be responsible for the decrease of the band gap energy value as the Sn/Cu ratio is decreased

  10. Band gap and mobility of epitaxial perovskite BaSn1 -xHfxO3 thin films

    Science.gov (United States)

    Shin, Juyeon; Lim, Jinyoung; Ha, Taewoo; Kim, Young Mo; Park, Chulkwon; Yu, Jaejun; Kim, Jae Hoon; Char, Kookrin

    2018-02-01

    A wide band-gap perovskite oxide BaSn O3 is attracting much attention due to its high electron mobility and oxygen stability. On the other hand, BaHf O3 was recently reported to be an effective high-k gate oxide. Here, we investigate the band gap and mobility of solid solutions of BaS n1 -xH fxO3 (x =0 -1 ) (BSHO) as a basis to build advanced perovskite oxide heterostructures. All the films were epitaxially grown on MgO substrates using pulsed laser deposition. Density functional theory calculations confirmed that Hf substitution does not create midgap states while increasing the band gap. From x-ray diffraction and optical transmittance measurements, the lattice constants and the band-gap values are significantly modified by Hf substitution. We also measured the transport properties of n -type La-doped BSHO films [(Ba ,La ) (Sn ,Hf ) O3 ] , investigating the feasibility of modulation doping in the BaSn O3/BSHO heterostructures. The Hall measurement data revealed that, as the Hf content increases, the activation rate of the La dopant decreases and the scattering rate of the electrons sharply increases. These properties of BSHO films may be useful for applications in various heterostructures based on the BaSn O3 system.

  11. Visible sub-band gap photoelectron emission from nitrogen doped and undoped polycrystalline diamond films

    Energy Technology Data Exchange (ETDEWEB)

    Elfimchev, S., E-mail: sergeyel@tx.technion.ac.il; Chandran, M.; Akhvlediani, R.; Hoffman, A.

    2017-07-15

    Highlights: • Nitrogen related centers in diamond film are mainly responsible for visible sub-band-gap photoelectron emission. • The influence of film thickness and substrate on the measured photoelectron emission yields was not found. • Nanocrystalline diamonds have low electron emission yields most likely because of high amount of defects. • Visible sub-band gap photoelectron emission may increase with temperature due to electron trapping/detrapping processes. - Abstract: In this study the origin of visible sub-band gap photoelectron emission (PEE) from polycrystalline diamond films is investigated. The PEE yields as a function of temperature were studied in the wavelengths range of 360–520 nm. Based on the comparison of electron emission yields from diamond films deposited on silicon and molybdenum substrates, with different thicknesses and nitrogen doping levels, we suggested that photoelectrons are generated from nitrogen related centers in diamond. Our results show that diamond film thickness and substrate material have no significant influence on the PEE yield. We found that nanocrystalline diamond films have low electron emission yields, compared to microcrystalline diamond, due to the presence of high amount of defects in the former, which trap excited electrons before escaping into the vacuum. However, the low PEE yield of nanocrystalline diamond films was found to increase with temperature. The phenomenon was explained by the trap assisted photon enhanced thermionic emission (ta-PETE) model. According to the ta-PETE model, photoelectrons are trapped by shallow traps, followed by thermal excitation at elevated temperatures and escape into the vacuum. Activation energies of trap levels were estimated for undoped nanocrystalline, undoped microcrystalline and N-doped diamond films using the Richardson-Dushman equation, which gives 0.13, 0.39 and 0.04 eV, respectively. Such low activation energy of trap levels makes the ta-PETE process very

  12. Complex layered materials and periodic electromagnetic band-gap structures: Concepts, characterizations, and applications

    Science.gov (United States)

    Mosallaei, Hossein

    The main objective of this dissertation is to characterize and create insight into the electromagnetic performances of two classes of composite structures, namely, complex multi-layered media and periodic Electromagnetic Band-Gap (EBG) structures. The advanced and diversified computational techniques are applied to obtain their unique propagation characteristics and integrate the results into some novel applications. In the first part of this dissertation, the vector wave solution of Maxwell's equations is integrated with the Genetic Algorithm (GA) optimization method to provide a powerful technique for characterizing multi-layered materials, and obtaining their optimal designs. The developed method is successfully applied to determine the optimal composite coatings for Radar Cross Section (RCS) reduction of canonical structures. Both monostatic and bistatic scatterings are explored. A GA with hybrid planar/curved surface implementation is also introduced to efficiently obtain the optimal absorbing materials for curved structures. Furthermore, design optimization of the non-uniform Luneburg and 2-shell spherical lens antennas utilizing modal solution/GA-adaptive-cost function is presented. The lens antennas are effectively optimized for both high gain and suppressed grating lobes. The second part demonstrates the development of an advanced computational engine, which accurately computes the broadband characteristics of challenging periodic electromagnetic band-gap structures. This method utilizes the Finite Difference Time Domain (FDTD) technique with Periodic Boundary Condition/Perfectly Matched Layer (PBC/PML), which is efficiently integrated with the Prony scheme. The computational technique is successfully applied to characterize and present the unique propagation performances of different classes of periodic structures such as Frequency Selective Surfaces (FSS), Photonic Band-Gap (PBG) materials, and Left-Handed (LH) composite media. The results are

  13. Probing the Electronic Structure and Band Gap Evolution of Titanium Oxide Clusters (TiO2)n- (n=1-10) Using Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Zhai, Hua-jin; Wang, Lai S.

    2007-01-01

    TiO2 is a wide-band gap semiconductor and it is an important material for photocatalysis. Here we report an experimental investigation of the electronic structure of (TiO2)n clusters and how their band gap evolves as a function of size using anion photoelectron spectroscopy (PES). PES spectra of (TiO2)n- clusters for n = 1-10 have been obtained at 193 (6.424 eV) and 157 nm (7.866 eV). The high photon energy at 157 nm allows the band gap of the TiO2 clusters to be clearly revealed up to n = 10. The band gap is observed to be strongly size-dependent for n 1 appears to be localized in a tricoordinated Ti atom, creating a single Ti3+ site and making these clusters ideal molecular models for mechanistic understanding of TiO2 surface defects and photocatalytic properties

  14. Band gap calculations of the semiconductor BNxP1−x using modified Becke–Johnson approximation

    International Nuclear Information System (INIS)

    Benkraouda, M.; Amrane, N.

    2013-01-01

    Highlights: ► The Modified Becke–Johnson scheme gives a very accurate band gap. ► We have shown the invalidity of Vegard’s linear rule for BN x P 1−x . ► The band gap changes with alloy concentration are important in band gap engineering. - Abstract: In this work, the electronic properties of BN, BP and BN x P 1−x compounds have been investigated by means of first-principles density-functional total-energy calculation using the all-electron full potential linear augmented plane-wave method (FP-LAPW). The (FP-LAPW) method was used within the density functional theory (DFT) along with the Engel–Vosko and Becke–Johnson exchange correlation potential. The energy bands along high symmetry directions, the density of states and bowing distributions are calculated. The results have been discussed in terms of previously existing experimental and theoretical data, and comparisons with similar compounds have been made. Analysis of band structure suggests direct and pseudo-direct band gaps for both compounds.

  15. Terahertz spectroscopy of three-dimensional photonic band-gap crystals

    International Nuclear Information System (INIS)

    Oezbay, E.; Michel, E.; Tuttle, G.; Biswas, R.; Ho, K.M.; Bostak, J.; Bloom, D.M.

    1994-01-01

    We have fabricated and built three-dimensional photonic band-gap crystals with band-gap frequencies larger than 500 GHz. We built the crystals by stacking micromachined (110) silicon wafers. The transmission and dispersion characteristics of the structures were measured by an all-electronic terahertz spectroscopy setup. The experimental results were in good agreement with theoretical calculations. To our knowledge, our new crystal has the highest reported photonic band-gap frequency

  16. The dynamics of a photonic band gap in 2D Si-based photonic crystals

    International Nuclear Information System (INIS)

    Glushko, O.Je.; Karachevtseva, L.A.

    2006-01-01

    The theoretical investigations of the photonic band structure of two-dimensional photonic crystals for the off-plane propagation of electromagnetic waves and the influence of a surface layer on the position and width of photonic band gaps are carried out. The experimentally measured width of a photonic band gap and the dispersion for two-dimensional silicon structures at the off-plane propagation of an electromagnetic wave correlate with the theoretical band gap position and width

  17. Halogenation of SiC for band-gap engineering and excitonic functionalization

    Science.gov (United States)

    Drissi, L. B.; Ramadan, F. Z.; Lounis, S.

    2017-11-01

    The optical excitation spectra and excitonic resonances are investigated in systematically functionalized SiC with Fluorine and/or Chlorine utilizing density functional theory in combination with many-body perturbation theory. The latter is required for a realistic description of the energy band-gaps as well as for the theoretical realization of excitons. Structural, electronic and optical properties are scrutinized and show the high stability of the predicted two-dimensional materials. Their realization in laboratory is thus possible. Large band-gaps of the order of 4 eV are found in the so-called GW approximation, with the occurrence of bright excitons, optically active in the four investigated materials. Their binding energies vary from 0.9 eV to 1.75 eV depending on the decoration choice and in one case, a dark exciton is foreseen to exist in the fully chlorinated SiC. The wide variety of opto-electronic properties suggest halogenated SiC as interesting materials with potential not only for solar cell applications, anti-reflection coatings or high-reflective systems but also for a possible realization of excitonic Bose-Einstein condensation.

  18. Novel dielectric photonic-band-gap resonant cavity loaded in a gyrotron

    International Nuclear Information System (INIS)

    Chen Xiaoan; Liu Gaofeng; Tang Changjian

    2010-01-01

    A novel resonant cavity composed of a periodic, multilayer, dielectric photonic crystal is proposed. Using the transfer matrix method and the Bloch theorem for periodic systems, an analysis on the band-gap property of such a structure is made, and the basic electromagnetic property of the photonic-band-gap resonant cavity (PBGC) is preliminarily exhibited. The theoretical studies and the cold cavity simulation results obtained from a high-frequency structure simulator are presented. On the basis of the present research, such a PBGC is quite similar to the two-dimensional PBGC made of triangular lattices of metal rods with a defect at its centre, in which a frequency selectivity is similarly demonstrated. Because of its unique electromagnetic property, the cavity has many promising applications in active and passive devices operating in the millimetre, sub-millimetre, and even THz wave range. As a specific application, the feasibility of substituting the traditional cylindrical resonant cavity loaded in a gyrotron for a dielectric PBGC to achieve a transverse high-order operation is discussed under the consideration of the electromagnetic features of the cavity. The study shows the great potential value of such a cavity for gyrotron devices.

  19. Omnidirectional Photonic Band Gap Using Low Refractive Index Contrast Materials and its Application in Optical Waveguides

    KAUST Repository

    Vidal Faez, Angelo

    2012-07-01

    Researchers have argued for many years that one of the conditions for omnidirectional reflection in a one-dimensional photonic crystal is a strong refractive index contrast between the two constituent dielectric materials. Using numerical simulations and the theory of Anderson localization of light, in this work we demonstrate that an omnidirectional band gap can indeed be created utilizing low refractive index contrast materials when they are arranged in a disordered manner. Moreover, the size of the omnidirectional band gap becomes a controllable parameter, which now depends on the number of layers and not only on the refractive index contrast of the system, as it is widely accepted. This achievement constitutes a major breakthrough in the field since it allows for the development of cheaper and more efficient technologies. Of particular interest is the case of high index contrast one-dimensional photonic crystal fibers, where the propagation losses are mainly due to increased optical scattering from sidewall roughness at the interfaces of high index contrast materials. By using low index contrast materials these losses can be reduced dramatically, while maintaining the confinement capability of the waveguide. This is just one of many applications that could be proven useful for this discovery.

  20. The band gap variation of a two dimensional binary locally resonant structure in thermal environment

    Directory of Open Access Journals (Sweden)

    Zhen Li

    2017-01-01

    Full Text Available In this study, the numerical investigation of thermal effect on band gap dynamical characteristic for a two-dimensional binary structure composed of aluminum plate periodically filled with nitrile rubber cylinder is presented. Initially, the band gap of the binary structure variation trend with increasing temperature is studied by taking the softening effect of thermal stress into account. A breakthrough is made which found the band gap being narrower and shifting to lower frequency in thermal environment. The complete band gap which in higher frequency is more sensitive to temperature that it disappears with temperature increasing. Then some new transformed models are created by changing the height of nitrile rubber cylinder from 1mm to 7mm. Simulations show that transformed model can produce a wider band gap (either flexure or complete band gap. A proper forbidden gap of elastic wave can be utilized in thermal environment although both flexure and complete band gaps become narrower with temperature. Besides that, there is a zero-frequency flat band appearing in the first flexure band, and it becomes broader with temperature increasing. The band gap width decreases trend in thermal environment, as well as the wider band gap induced by the transformed model with higher nitrile rubber cylinder is useful for the design and application of phononic crystal structures in thermal environment.

  1. True photonic band-gap mode-control in VCSEL structures

    DEFF Research Database (Denmark)

    Romstad, F.; Madsen, M.; Birkedal, Dan

    2003-01-01

    Photonic band-gap mode confinement in novel nano-structured large area VCSEL structures is confirmed by the amplified spontaneous emission spectrum. Both guide and anti-guide VCSEL structures are experimentally characterised to verify the photonic band-gap effect.......Photonic band-gap mode confinement in novel nano-structured large area VCSEL structures is confirmed by the amplified spontaneous emission spectrum. Both guide and anti-guide VCSEL structures are experimentally characterised to verify the photonic band-gap effect....

  2. Systematic design of phononic band-gap materials and structures by topology optimization

    DEFF Research Database (Denmark)

    Sigmund, Ole; Jensen, Jakob Søndergaard

    2003-01-01

    Phononic band-gap materials prevent elastic waves in certain frequency ranges from propagating, and they may therefore be used to generate frequency filters, as beam splitters, as sound or vibration protection devices, or as waveguides. In this work we show how topology optimization can be used...... to design and optimize periodic materials and structures exhibiting phononic band gaps. Firstly, we optimize infinitely periodic band-gap materials by maximizing the relative size of the band gaps. Then, finite structures subjected to periodic loading are optimized in order to either minimize the structural...

  3. Multiferroic Double Perovskites ScFe1-xCrxO3 (1 /6 ≤x ≤5 /6 ) for Highly Efficient Photovoltaics and Spintronics

    Science.gov (United States)

    Cai, Tian-Yi; Liu, Shi-Chen; Ju, Sheng; Liu, Cheng-You; Guo, Guang-Yu

    2017-09-01

    Ferroelectric oxides are attractive materials for constructing efficient solar cells. Nevertheless, a wide band gap of nearly 3.0 eV in these ferroelectric oxides would result in poor overall sunlight absorption and, hence, low energy conversion efficiency. Here, by systematic first-principles density-functional calculations, we demonstrate that double-perovskite semiconductors ScFe1-xCrxO3 (1 /6 ≤x ≤5 /6 ) with a narrow band gap of approximately 1.8 eV would simultaneously exhibit large ferroelectric polarization (100 μ C /cm2 ) and ferrimagnetic magnetization (170 emu/cm3 ). Within a Schottky-based model for a typical sandwich solar-cell structure, a power-conversion efficiency of 9.0% can be reached by neglecting all other sources of photovoltaicity in ferroelectric materials. This value is larger than the largest value of 8.1% observed in ferroelectric oxides. Furthermore, these double perovskites are found to be single-spin semiconductors, and the obtained photocurrent is fully spin polarized over almost the entire Sun spectrum. These fascinating advantages would make ScFex Cr1 -xO3 (1 /6 ≤x ≤5 /6 ) semiconductors promising candidates for highly efficient solar cells and spin photovoltaic devices.

  4. Photonic band gap materials: Technology, applications and challenges

    International Nuclear Information System (INIS)

    Johri, M.; Ahmed, Y.A.; Bezboruah, T.

    2006-05-01

    Last century has been the age of Artificial Materials. One material that stands out in this regard is the semiconductor. The revolution in electronic industry in the 20th century was made possible by the ability of semiconductors to microscopically manipulate the flow of electrons. Further advancement in the field made scientists suggest that the new millennium will be the age of photonics in which artificial materials will be synthesized to microscopically manipulate the flow of light. One of these will be Photonic Band Gap material (PBG). PBG are periodic dielectric structures that forbid propagation of electromagnetic waves in a certain frequency range. They are able to engineer most fundamental properties of electromagnetic waves such as the laws of refraction, diffraction, and emission of light from atoms. Such PBG material not only opens up variety of possible applications (in lasers, antennas, millimeter wave devices, efficient solar cells photo-catalytic processes, integrated optical communication etc.) but also give rise to new physics (cavity electrodynamics, localization, disorder, photon-number-state squeezing). Unlike electronic micro-cavity, optical waveguides in a PBG microchip can simultaneously conduct hundreds of wavelength channels of information in a three dimensional circuit path. In this article we have discussed some aspects of PBG materials and their unusual properties, which provided a foundation for novel practical applications ranging from clinical medicine to information technology. (author)

  5. Wake-field studies on photonic band gap accelerator cavities

    International Nuclear Information System (INIS)

    Li, D.; Kroll, N.; Stanford Linear Accelerator Center, M/S 26, P.O. Box 4349, Stanford, California; Smith, D.R.; Schultz, S.

    1997-01-01

    We have studied the wake-field of several metal Photonic Band Gap (PBG) cavities which consist of either a square or a hexagonal array of metal cylinders, bounded on top and bottom by conducting or superconducting sheets, surrounded by placing microwave absorber at the periphery or by replacing outer rows of metal cylinders with lossy dielectric ones, or by metallic walls. A removed cylinder from the center of the array constitutes a site defect where a localized electromagnetic mode can occur. While both monopole and dipole wake-fields have been studied, we confine our attention here mainly to the dipole case. The dipole wake-field is produced by modes in the propagation bands which tend to fill the entire cavity more or less uniformly and are thus easy to damp selectively. MAFIA time domain simulation of the transverse wake-field has been compared with that of a cylindrical pill-box comparison cavity. Even without damping the wake-field of the metal PBG cavity is substantially smaller than that of the pill-box cavity and may be further reduced by increasing the size of the lattice. By introducing lossy material at the periphery we have been able to produce Q factors for the dipole modes in the 40 to 120 range without significantly degrading the accelerating mode. copyright 1997 American Institute of Physics

  6. Complex periodic potentials with a finite number of band gaps

    International Nuclear Information System (INIS)

    Khare, Avinash; Sukhatme, Uday

    2006-01-01

    We obtain several new results for the complex generalized associated Lame potential V(x)=a(a+1)m sn 2 (y,m)+b(b+1)m sn 2 (y+K(m),m)+f(f+1)m sn 2 (y+K(m)+iK ' (m),m)+g(g+1)m sn 2 (y+iK ' (m),m), where y≡x-K(m)/2-iK ' (m)/2, sn(y,m) is the Jacobi elliptic function with modulus parameter m, and there are four real parameters a,b,f,g. First, we derive two new duality relations which, when coupled with a previously obtained duality relation, permit us to relate the band edge eigenstates of the 24 potentials obtained by permutations of the parameters a,b,f,g. Second, we pose and answer the question: how many independent potentials are there with a finite number 'a' of band gaps when a,b,f,g are integers and a≥b≥f≥g≥0? For these potentials, we clarify the nature of the band edge eigenfunctions. We also obtain several analytic results when at least one of the four parameters is a half-integer. As a by-product, we also obtain new solutions of Heun's differential equation

  7. Band-gap creation by icosahedral symmetry in nearly-free-electron materials

    International Nuclear Information System (INIS)

    Carlsson, A.E.

    1993-01-01

    A series of numerical electronic density-of-states calculations is performed for rational approximants to a model one-electron potential based on icosahedrally arranged plane-wave components. It is found that high-order approximants can have band gaps even if the low-order approximants do not; furthermore, the magnitude of the gap increases with the order of the approximant. The results are interpreted via a two- and three-wave analysis of the energy eigenvalues at the pseudo-Jones-zone faces and edges. It is also found that the mechanism of band-gap reduction in the rational approximants is the presence of a small density of gap states. An analytic calculation shows that these gap states result from a splitting of threefold and pseudothreefold states at the valence-band edge when the icosahedral symmetry is broken. The splitting is proportional to the error with which the ratio between the approximant indices approximates τ, the golden mean. Finally, an application to the AlCuLi system is presented

  8. Non-Dirac Chern insulators with large band gaps and spin-polarized edge states.

    Science.gov (United States)

    Xue, Y; Zhang, J Y; Zhao, B; Wei, X Y; Yang, Z Q

    2018-05-10

    Based on first-principles calculations and k·p models, we demonstrate that PbC/MnSe heterostructures are a non-Dirac type of Chern insulator with very large band gaps (244 meV) and exotically half-metallic edge states, providing the possibilities of realizing very robust, completely spin polarized, and dissipationless spintronic devices from the heterostructures. The achieved extraordinarily large nontrivial band gap can be ascribed to the contribution of the non-Dirac type electrons (composed of px and py) and the very strong atomic spin-orbit coupling (SOC) interaction of the heavy Pb element in the system. Surprisingly, the band structures are found to be sensitive to the different exchange and correlation functionals adopted in the first-principles calculations. Chern insulators with various mechanisms are acquired from them. These discoveries show that the predicted nontrivial topology in PbC/MnSe heterostructures is robust and can be observed in experiments at high temperatures. The system has great potential to have attractive applications in future spintronics.

  9. Tuning the band gap of silicene by functionalisation with naphthyl and anthracyl groups

    Energy Technology Data Exchange (ETDEWEB)

    Brennan, Mathew D.; Spencer, Michelle J. S., E-mail: t-morishita@aist.go.jp, E-mail: michelle.spencer@rmit.edu.au [School of Science, RMIT University, GPO Box 2476, Melbourne, Victoria 3001 (Australia); Morishita, Tetsuya, E-mail: t-morishita@aist.go.jp, E-mail: michelle.spencer@rmit.edu.au [Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan)

    2016-03-21

    Silicene is a relatively new material consisting of a two-dimensional sheet of silicon atoms. Functionalisation of silicene with different chemical groups has been suggested as a way to tune its electronic properties. In this work, density functional theory calculations and ab initio molecular dynamics simulations are used to examine the effects of functionalisation with naphthyl or anthracyl groups, which are two examples of small polycyclic aromatic hydrocarbons (PAHs). Different attachment positions on the naphthyl and anthracyl groups were compared, as well as different thicknesses of the silicene nanosheet. It was found that the carbon attachment position farthest from the bond fusing the aromatic rings gave the more stable structures for both functional groups. All structures showed direct band gaps, with tuning of the band gap being achievable by increasing the length of the PAH or the thickness of the silicene. Hence, modifying the functional group or thickness of the silicene can both be used to alter the electronic properties of silicene making it a highly promising material for use in future electronic devices and sensors.

  10. Sub-band-gap absorption of Cu(In,Ga)Se{sub 2} thin film semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Meessen, Max; Brueggemann, Rudolf; Bauer, Gottfried H. [Carl von Ossietzky University Oldenburg (Germany)

    2012-07-01

    The sub-band-gap absorption of Cu(In,Ga)Se{sub 2} thin films has been studied by photothermal deflection spectroscopy (PDS) in conjunction with optical transmittance spectroscopy. The resulting absorption coefficients are compared to those calculated from photoluminescence spectra using Planck's generalized law. Quantities related to the absorption like Urbach energy and defect densities are derived from the absorption curves. This concept has been applied to a series of bromine-methanol etched Cu(In{sub x-1},Ga{sub x})Se{sub 2} (x=0.3) absorbers with varying thicknesses. A shift in the band gap is observed with both methods and can be related to the gallium gradient in the samples. In contrast, the Urbach energy and defect absorption values are not substantially affected by the etching process. The influence of CdS buffer layers or highly thermally conductive metallic back contacts on PDS results is studied by measuring nominally identical samples with and without those layers.

  11. Dipolar interaction induced band gaps and flat modes in surface-modulated magnonic crystals

    Science.gov (United States)

    Gallardo, R. A.; Schneider, T.; Roldán-Molina, A.; Langer, M.; Fassbender, J.; Lenz, K.; Lindner, J.; Landeros, P.

    2018-04-01

    Theoretical results for the magnetization dynamics of a magnonic crystal formed by grooves on the surface of a ferromagnetic film, called a surface-modulated magnonic crystal, are presented. For such a system, the role of the periodic dipolar field induced by the geometrical modulation is addressed by using the plane-wave method. The results reveal that, under the increasing of the depth of the grooves, zones with magnetizing and demagnetizing fields act on the system in such a way that magnonic band gaps are observed in both Damon-Eshbach and backward volume geometries. Particularly, in the backward volume configuration, high-frequency band gaps and low-frequency flat modes are obtained. By taking into account the properties of the internal field induced by the grooves, the flattening of the modes and their shift towards low frequencies are discussed and explained. To test the validity of the model, the theoretical results of this work are confirmed by micromagnetic simulations, and good agreement between both methods is achieved. The theoretical model allows for a detailed understanding of the physics underlying these kinds of systems, thereby providing an outlook for potential applications on magnonic devices.

  12. Tunable band gap emission and surface passivation of germanium nanocrystals synthesized in the gas phase

    NARCIS (Netherlands)

    Wheeler, LM; Levij, L.M.; Kortshagen, U.R.

    2013-01-01

    The narrow bulk band gap and large exciton Bohr radius of germanium (Ge) make it an attractive material for optoelectronics utilizing band-gap-tunable photoluminescence (PL). However, realization of PL due to quantum confinement remains scarcely reported. Instead, PL is often observed from surface

  13. Kronig-Penney-like description for band gap variation in SiC polytypes

    NARCIS (Netherlands)

    Backes, W.H.; Nooij, de F.C.; Bobbert, P.A.; van Haeringen, W.

    1996-01-01

    A one-dimensional Kronig-Penney-like model for envelope wave functions is presented to explain the band gap variation of SiC polytypes. In this model the envelope functions obey discontinuous boundary conditions. The electronic band gaps of cubic and several hexagonal and rhombohedral SiC polytypes

  14. Spectroscopy of photonic band gaps in mesoporous one-dimensional photonic crystals based on aluminum oxide

    International Nuclear Information System (INIS)

    Gorelik, V.S.; Voinov, Yu.P.; Shchavlev, V.V.; Bi, Dongxue; Shang, Guo Liang; Fei, Guang Tao

    2017-01-01

    Mesoporous one-dimensional photonic crystals based on aluminum oxide have been synthesized by electrochemical etching method. Reflection spectra of the obtained mesoporous samples in a wide spectral range that covers several band gaps are presented. Microscopic parameters of photonic crystals are calculated and corresponding reflection spectra for the first six band gaps are presented.

  15. Band-gap and band-edge engineering of multicomponent garnet scintillators from first principles

    Czech Academy of Sciences Publication Activity Database

    Yadav, S.K.; Uberuaga, B.P.; Nikl, Martin; Jiang, C.; Stanek, C.R.

    2015-01-01

    Roč. 4, č. 5 (2015), "054012-1"-"054012-9" ISSN 2331-7019 R&D Projects: GA ČR GAP204/12/0805 Institutional support: RVO:68378271 Keywords : scintillator * electronic band gap structure * garnets * band gap engineering Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.061, year: 2015

  16. Theoretical study of relative width of photonic band gap for the 3-D ...

    Indian Academy of Sciences (India)

    ... of refractive index and relative radius of the photonic band gap for the fcc closed packed 3-D dielectric microstructure are reported and comparison of experimental observations and theoretical predictions are given. This work is useful for the understanding of photonic crystals and occurrence of the photonic band gap.

  17. Large band gaps of water waves through two-dimensional periodic topography

    International Nuclear Information System (INIS)

    Yang Shaohua; Wu Fugen; Zhong Huilin; Zhong Lanhua

    2006-01-01

    In this Letter, the band structures and band gaps of liquid surface waves propagating over two-dimensional periodic topography was investigated by plane-waves expansion method. The periodic topography drilled by square hollows with square lattice was considered. And the effects of the filling fraction and the orientation of bottom-hollows on the band gaps are investigated in detail

  18. Multi-flexural band gaps in an Euler–Bernoulli beam with lateral local resonators

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ting, E-mail: WT323@mail.nwpu.edu.cn [School of Marine Science and Technology, Northwestern Polytechnical University, Xi' an, Shaanxi, 710072 (China); College of Engineering and Computer Science, The Australian National University, ACT, 2600 (Australia); Sheng, Mei-Ping [School of Marine Science and Technology, Northwestern Polytechnical University, Xi' an, Shaanxi, 710072 (China); Qin, Qing-Hua [College of Engineering and Computer Science, The Australian National University, ACT, 2600 (Australia)

    2016-02-05

    Flexural vibration suppression in an Euler–Bernoulli beam with attached lateral local resonators (LLR) is studied theoretically and numerically. Hamilton's principle and Bloch's theorem are employed to derive the dispersion relation which reveals that two band gaps are generated. Within both band gaps, the flexural waves are partially transformed into longitudinal waves through a four-link-mechanism and totally blocked. The band gaps can be flexibly tuned by changing the geometry parameter of the four-link-mechanism and the spring constants of the resonators. Frequency response function (FRF) from finite element analysis via commercial software of ANSYS shows large flexural wave attenuation within the band gaps and the effect of damping from the LLR substructures which helps smooth and lower the response peaks at the sacrifice of the band gap effect. The existence of the multi-flexural band gaps can be exploited for the design of flexural vibration control of beams. - Highlights: • A metamaterial beam with lateral local resonance is proposed. • The metamaterial beam can generate multi-band gaps for flexural wave suppression. • The substructure can transform the flexural wave into longitudinal wave and absorb the waves. • Damping from different part has different influence on the band gaps. • The design of the metamaterial beam can be used for multi-flexural vibration control.

  19. Grain size dependent optical band gap of CdI2 films

    Indian Academy of Sciences (India)

    Unknown

    absorption data near band edge can be fitted to an indirect band gap of 3 eV. The dependence of band gap ... while to carry out the optical studies on CdI2 films in order to .... replotted as (αhν)1/2 vs hν to determine indirect gap as shown in the ...

  20. Kinetics of singlet and triplet excitons in a wide-band-gap copolymer

    NARCIS (Netherlands)

    Loi, MA; Gadermaier, C; List, EJW; Leising, G; Graupner, W; Bongiovanni, G; Mura, A; Pireaux, JJ; Kaeriyama, K

    2000-01-01

    Transient and photomodulation spectroscopy is used in order to determine decay times and densities of both emitting and absorbing species in the wide band-gap semiconductor poly-2,5-diheptyl-1,4-phenylene-alt-2, S-thienylene (PDHPT). The wide band gap of this material is a consequence of the large

  1. gamma-induced modification on optical band gap of CR-39 SSNTD

    International Nuclear Information System (INIS)

    Zaki, M.F.

    2010-01-01

    effect of gamma irradiation on optical absorption of nuclear track detectors like CR-39 was studied at different absorbed doses using ultraviolet-visible (UV-VIS)spectroscopy. the existence of the peaks, their shifting and broadening as a result of gamma irradiation has been discussed. the width of the tail of localized states in the band gap (E u )was evaluated using the Urbach edge method. finally the indirect and direct band gap in pristine and gamma irradiated CR-39 have been determined. the values of indirect band gap have been found to be lower than the corresponding values of direct band gap. a decrease in the optical energy gap with increasing the gamma absorbed dose can be discussed on the basis of gamma-irradiation-induced defects in the CR-39. the correlation between optical band gap and the number of carbon atoms in a cluster with modified Tauc's equation has been discussed in case of CR-39.

  2. Empirical correction for PM7 band gaps of transition-metal oxides.

    Science.gov (United States)

    Liu, Xiang; Sohlberg, Karl

    2016-01-01

    A post-calculation correction is established for PM7 band gaps of transition-metal oxides. The correction is based on the charge on the metal cation of interest, as obtained from MOPAC PM7 calculations. Application of the correction reduces the average error in the PM7 band gap from ~3 eV to ~1 eV. The residual error after correction is shown to be uncorrelated to the Hartree-Fock method upon which PM7 is based. Graphical Abstract Comparison between calculated band gaps and experimental band gaps for binary oxides. The orange crosses are for corrected PM7 band gaps. Blue squares are uncorrected values. The orange crosses fall closer to the diagonal dashed line, showing an overall improvement of the accuracy of calculated values.

  3. Tunable band gaps in bio-inspired periodic composites with nacre-like microstructure

    Science.gov (United States)

    Chen, Yanyu; Wang, Lifeng

    2014-08-01

    Periodic composite materials have many promising applications due to their unique ability to control the propagation of waves. Here, we report the existence and frequency tunability of complete elastic wave band gaps in bio-inspired periodic composites with nacre-like, brick-and-mortar microstructure. Numerical results show that complete band gaps in these periodic composites derive from local resonances or Bragg scattering, depending on the lattice angle and the volume fraction of each phase in the composites. The investigation of elastic wave propagation in finite periodic composites validates the simulated complete band gaps and further reveals the mechanisms leading to complete band gaps. Moreover, our results indicate that the topological arrangement of the mineral platelets and changes of material properties can be utilized to tune the evolution of complete band gaps. Our finding provides new opportunities to design mechanically robust periodic composite materials for wave absorption under hostile environments, such as for deep water applications.

  4. Swift heavy ion irradiation induced modifications in the optical band gap and Urbach's tail in polyaniline nanofibers

    International Nuclear Information System (INIS)

    Banerjee, Somik; Kumar, A.

    2011-01-01

    Optical band gap and Urbach tail width of HCl and CSA doped polyaniline (PAni) nanofibers and the ion beam induced modifications in the band gap and Urbach's tail of the samples have been studied employing UV-Vis absorption spectroscopy. All the major bands appearing in the FTIR spectra exhibit a decrease in intensity and broadening in their band widths upon interaction with the highly energetic ion beams. This suggests that SHI irradiation induces chain-scissioning events in the PAni nanofibers. An interesting result that comes out from the FTIR analysis is a transition from the benzenoid to quinoid states in the PAni chains, which reveals that there is a decrease in the degree of conjugation in the polymer upon irradiation. Optical absorption studies indicate three direct allowed transitions at ∼2.64, 3.61 and 4.08 eV for HCl doped PAni nanofibers and at ∼2.62, 3.49 and 4.02 eV for the CSA doped PAni nanofibers. The optical band gap is found to increase with increasing ion fluence which may be attributed to the reduction in the fiber diameters upon irradiation, which is corroborated by TEM analysis. Increase in the optical band gap also points out to a decrease in the conjugation length due to the larger torsion angles between the adjacent phenyl rings of the polymer with respect to the plane of the nitrogen atoms, which is also supported by FTIR results. The Urbach tail width decreases with increasing ion fluence indicating that structural disorders are annealed out of the PAni nanofibers which is also observed from the plots of (αhν) 2 against photon energy (hν) for HCl doped PAni nanofibers. The quantum confinement effect is confirmed by fact that a band gap exhibits a linear dependence on the inverse of the square of the radius of the PAni nanofibers. Infact, the increase in the optical band gap may be a combined effect of the decrease in the Urbach band width and the quantum confinement effect.

  5. Wide-band gap devices in PV systems - opportunities and challenges

    DEFF Research Database (Denmark)

    Sintamarean, Nicolae Cristian; Eni, Emanuel-Petre; Blaabjerg, Frede

    2014-01-01

    have an important role in the cost reduction. To increase the efficiency of PV systems, most of solutions for PV inverters have moved to three-level (3L) structures reaching typical efficiencies of 98% due to low switching losses of 600V Si IGBT or MOSFET and reduced core losses in the filter......The recent developments in wide band-gap devices based GaN and SiC is showing a high impact on the PV-inverter technology, which is strongly influenced by efficiency, power density and cost. Besides the high efficiency of PV inverters, also the mechanical size, the compactness and simple structure......) three-phase PV-inverter topologies in terms of efficiency, thermal loading distribution and costs. Moreover the above mentioned PV-inverters are built and tested in laboratory in order to validate the obtained results....

  6. Influence of band-gap grading on luminescence properties of Cu(In,Ga)Se{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Haarstrich, Jakob; Metzner, Heiner; Ronning, Carsten [Institut fuer Festkoerperphysik, Friedrich Schiller Universitaet Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Rissom, Thorsten; Kaufmann, Christian A.; Schock, Hans-Werner [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Solar Energy Research, Institute for Technology, Lise-Meitner-Campus, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Undisz, Andreas [Institute for Material Science and Technology, Metallic Materials, Friedrich-Schiller-University Jena, Loebdergraben 32, 07743 Jena (Germany)

    2011-07-01

    Cathodoluminescence (CL) has been measured on Cu(In,Ga)Se{sub 2} with Ga-grading as it is used in high-efficiency thin-film solar cells at 10 K in both cross-section and plain view configuration. In cross-section geometry, we show that the vertical profile of the emission energy represents the Ga-profile in the film and, thus, we are able to measure the band-gap grading present by means of CL methods. At the same time, we observe a strong drift of excited charge carriers towards the minimum of the band-gap which can be explained by the Ga-grading. It is shown by voltage-dependent CL, how these results directly influence the interpretation of luminescence spectra obtained on Ga-graded Cu(In,Ga)Se{sub 2} and, thus, they will have to be considered as a basis for all forthcoming investigations on this topic.

  7. Forbidden energy band gap in diluted a-Ge1−xSix:N films

    International Nuclear Information System (INIS)

    Guarneros, C.; Rebollo-Plata, B.; Lozada-Morales, R.; Espinosa-Rosales, J.E.; Portillo-Moreno, J.; Zelaya-Angel, O.

    2012-01-01

    By means of electron gun evaporation Ge 1−x Si x :N thin films, in the entire range 0 ≤ x ≤ 1, were prepared on Si (100) and glass substrates. The initial vacuum reached was 6.6 × 10 −4 Pa, then a pressure of 2.7 × 10 −2 Pa of high purity N 2 was introduced into the chamber. The deposition time was 4 min. Crucible-substrate distance was 18 cm. X-ray diffraction patterns indicate that all the films were amorphous (a-Ge 1−x Si x :N). The nitrogen concentration was of the order of 1 at% for all the films. From optical absorption spectra data and by using the Tauc method the energy band gap (E g ) was calculated. The Raman spectra only reveal the presence of Si-Si, Ge-Ge, and Si-Ge bonds. Nevertheless, infrared spectra demonstrate the existence of Si-N and Ge-N bonds. The forbidden energy band gap (E g ) as a function of x in the entire range 0 ≤ x ≤ 1 shows two well defined regions: 0 ≤ x ≤ 0.67 and 0.67 ≤ x ≤ 1, due to two different behaviors of the band gap, where for x > 0.67 exists an abruptly change of E g (x). In this case E g (x) versus x is different to the variation of E g in a-Ge 1−x Si x and a-Ge 1−x Si x :H. This fact can be related to the formation of Ge 3 N 4 and GeSi 2 N 4 when x ≤ 0.67, and to the formation of Si 3 N 4 and GeSi 2 N 4 for 0.67 ≤ x. - Highlights: ► Nitrogen doped amorphous Ge 1-x Si x thin films are grown by electron gun technique. ► Nitrogen atoms on E g of the a-Ge 1-x Si x films in the 0 £ x £ 1 range are analyzed. ► Variation in 0 £ x £ 1 range shows a warped change of E g in 1.0 – 3.6 eV range. ► The change in E g (x) behavior when x ∼ 0.67 was associated with Ge 2 SiN 4 presence.

  8. CdSe/CdTe interface band gaps and band offsets calculated using spin-orbit and self-energy corrections

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, M. [Centro de Pesquisas Avancadas Wernher von Braun, Av. Alice de Castro P.N. Mattosinho 301, CEP 13098-392 Campinas, SP (Brazil); Ferreira, L.G. [Departamento de Fisica dos Materiais e Mecanica, Instituto de Fisica, Universidade de Sao Paulo, 05315-970 Sao Paulo, SP (Brazil); Fonseca, L.R.C. [Center for Semiconductor Components, State University of Campinas, R. Pandia Calogeras 90, 13083-870 Campinas, SP (Brazil); Ramprasad, R. [Department of Chemical, Materials and Biomolecular Engineering, Institute of Materials Science, University of Connecticut, 97 North Eagleville Road, Storrs, CT 06269 (United States)

    2012-09-20

    We performed ab initio calculations of the electronic structures of bulk CdSe and CdTe, and their interface band alignments on the CdSe in-plane lattice parameters. For this, we employed the LDA-1/2 self-energy correction scheme to obtain corrected band gaps and band offsets. Our calculations include the spin-orbit effects for the bulk cases, which have shown to be of importance for the equilibrium systems and are possibly degraded in these strained semiconductors. Therefore, the SO showed reduced importance for the band alignment of this particular system. Moreover, the electronic structure calculated along the transition region across the CdSe/CdTe interface shows an interesting non-monotonic variation of the band gap in the range 0.8-1.8 eV, which may enhance the absorption of light for corresponding frequencies at the interface between these two materials in photovoltaic applications.

  9. Band gap modification and ferroelectric properties of Bi0.5(Na,K0.5TiO3-based by Li substitution

    Directory of Open Access Journals (Sweden)

    Ngo Duc Quan

    2014-01-01

    Full Text Available We report on the reduction of band gap in Bi0.5(Na0.82-xLixK0.180.5(Ti0.95Sn0.05O3 from 2.99 eV to 2.84 eV due to the substitutions of Li+ ions to Na+ sites. In addition, the lithium substitution samples exhibit an increasing of the maximal polarizations from 21.8 to 25.7 μC/cm2. The polarization enhancement of ferroelectric and reduction of the band gaps are strongly related to the Li substitution concentration as evaluated via the electronegative between A-site and oxygen and tolerance factor. The results are promising for photovoltaic and photocatalytic applications.

  10. Influence of defects on the absorption edge of InN thin films: The band gap value

    Science.gov (United States)

    Thakur, J. S.; Danylyuk, Y. V.; Haddad, D.; Naik, V. M.; Naik, R.; Auner, G. W.

    2007-07-01

    We investigate the optical-absorption spectra of InN thin films whose electron density varies from ˜1017tõ1021cm-3 . The low-density films are grown by molecular-beam-epitaxy deposition while highly degenerate films are grown by plasma-source molecular-beam epitaxy. The optical-absorption edge is found to increase from 0.61to1.90eV as the carrier density of the films is increased from low to high density. Since films are polycrystalline and contain various types of defects, we discuss the band gap values by studying the influence of electron degeneracy, electron-electron, electron-ionized impurities, and electron-LO-phonon interaction self-energies on the spectral absorption coefficients of these films. The quasiparticle self-energies of the valence and conduction bands are calculated using dielectric screening within the random-phase approximation. Using one-particle Green’s function analysis, we self-consistently determine the chemical potential for films by coupling equations for the chemical potential and the single-particle scattering rate calculated within the effective-mass approximation for the electron scatterings from ionized impurities and LO phonons. By subtracting the influence of self-energies and chemical potential from the optical-absorption edge energy, we estimate the intrinsic band gap values for the films. We also determine the variations in the calculated band gap values due to the variations in the electron effective mass and static dielectric constant. For the lowest-density film, the estimated band gap energy is ˜0.59eV , while for the highest-density film, it varies from ˜0.60tõ0.68eV depending on the values of electron effective mass and dielectric constant.

  11. H-tailored surface conductivity in narrow band gap In(AsN)

    Energy Technology Data Exchange (ETDEWEB)

    Velichko, A. V., E-mail: amalia.patane@nottingham.ac.uk, E-mail: anton.velychko@nottingham.ac.uk; Patanè, A., E-mail: amalia.patane@nottingham.ac.uk, E-mail: anton.velychko@nottingham.ac.uk; Makarovsky, O. [School of Physics and Astronomy, The University of Nottingham, Nottingham NG7 2RD (United Kingdom); Capizzi, M.; Polimeni, A. [Dipartimento di Fisica, Sapienza Università di Roma, Piazzale A. Moro 2, 00185 Roma (Italy); Sandall, I. C.; Tan, C. H. [Department of Electronic and Electrical Engineering, The University of Sheffield, Sheffield S1 3JD (United Kingdom); Giubertoni, D. [Center for Materials and Microsystems—Fondazione Bruno Kessler, via Sommarive 18, 38123 Povo, Trento (Italy); Krier, A.; Zhuang, Q. [Physics Department, Lancaster University, Lancaster LA1 4YB (United Kingdom)

    2015-01-12

    We show that the n-type conductivity of the narrow band gap In(AsN) alloy can be increased within a thin (∼100 nm) channel below the surface by the controlled incorporation of H-atoms. This channel has a large electron sheet density of ∼10{sup 18 }m{sup −2} and a high electron mobility (μ > 0.1 m{sup 2}V{sup −1}s{sup −1} at low and room temperature). For a fixed dose of impinging H-atoms, its width decreases with the increase in concentration of N-atoms that act as H-traps thus forming N-H donor complexes near the surface.

  12. Study of Optical Band Gap of CuO Using Fermi's Golden Rule

    International Nuclear Information System (INIS)

    Nemade, K R; Waghuley, S A

    2012-01-01

    Quantum size effect where the electronic and optical properties of solids are altered due to changes in the band structures, enhanced the surface/volume ratio in nano dimensions forces more than 33% of the atoms to be on the surface (for 10nm dot 35), which drastically altering the physical properties such as having lower melting temperature and lower sintering temperature, and higher diffusion force at elevated temperatures. Consequently, its Fermi's golden rule analysis becomes crucial. Cupric oxide (CuO) is an important transition metal oxide with the basis of several high temperature superconductors and giant magnetoresistance materials. In present investigation, optical Band Gap from UV data using Fermi's golden rule for single step chemically synthesized CuO was computed.

  13. On the Integration of Wide Band-gap Semiconductors in Single Phase Boost PFC Converters

    DEFF Research Database (Denmark)

    Hernandez Botella, Juan Carlos

    Power semiconductor technology has dominated the evolution of switched mode power supplies (SMPS). Advances in silicon (Si) technology, as the introduction of metal oxide field effect transistor (MOSFET), isolated gate bipolar transistors (IGBT), superjunction vertical structures and Schottky...... diodes, or the introduction of silicon carbide (SiC) diodes, provided large steps in miniaturization and efficiency improvement of switched mode power converters. Gallium nitride (GaN) and SiC semiconductor devices have already been around for some years. The first one proliferated due to the necessity...... of high frequency operation in optoelectronics applications. On the other hand, Schottky SiC power diodes were introduced in 2001 as an alternative to eliminate reverse recovery issues in Si rectifiers. Wide band-gap semiconductors offer an increased electrical field strength and electron mobility...

  14. Transparent wide band gap crystals follow indirect allowed transition and bipolaron hopping mechanism

    Directory of Open Access Journals (Sweden)

    Feroz A. Mir

    2014-01-01

    Full Text Available Recently, we carried out structural, optical and dielectric studies on micro-crystals of Oxypeucedanin (C16H14O5, isolated from the roots of plant Prangos pabularia (Mir et al. (2014 [3,4]. The obtained trend in frequency exponent (s with frequency (ω indicates that the universal dynamic response is followed by this compound. From optical absorption spectroscopy, the optical band gap (Eg was estimated around 3.76 eV and system is showing indirect allowed transition. Using Eg in certain relation of s, a close value of s (as much close obtained by fitting ac conductivity was obtained. This method was further used for other similar systems and again same trend was obtained. So a general conclusion was made that the high transmitting wide band insulators or semiconductors may follow bipolaron hopping transport mechanism.

  15. Properties of entangled photon pairs generated in one-dimensional nonlinear photonic-band-gap structures

    International Nuclear Information System (INIS)

    Perina, Jan Jr.; Centini, Marco; Sibilia, Concita; Bertolotti, Mario; Scalora, Michael

    2006-01-01

    We have developed a rigorous quantum model of spontaneous parametric down-conversion in a nonlinear 1D photonic-band-gap structure based upon expansion of the field into monochromatic plane waves. The model provides a two-photon amplitude of a created photon pair. The spectra of the signal and idler fields, their intensity profiles in the time domain, as well as the coincidence-count interference pattern in a Hong-Ou-Mandel interferometer are determined both for cw and pulsed pumping regimes in terms of the two-photon amplitude. A broad range of parameters characterizing the emitted down-converted fields can be used. As an example, a structure composed of 49 layers of GaN/AlN is analyzed as a suitable source of photon pairs having high efficiency

  16. Effect of ripple taper on band-gap overlap in a coaxial Bragg structure operating at terahertz frequency

    International Nuclear Information System (INIS)

    Ding Xueyong; Li Hongfan; Lv Zhensu

    2012-01-01

    Based on the mode-coupling method, numerical analysis is presented to demonstrate the influence of ripple taper on band-gap overlap in a coaxial Bragg structure operating at terahertz frequency. Results show that the interval between the band-gaps of the competing mode and the desired working mode is narrowed by use of positive-taper ripples, but is expanded if negative-taper ripples are employed, and the influence of the negative-taper ripples is obviously more advantageous than the positive-taper ripples; the band-gap overlap of modes can be efficiently separated by use of negative-taper ripples. The residual side-lobes of the frequency response in a coaxial Bragg structure with ripple taper also can be effectively suppressed by employing the windowing-function technique. These peculiarities provide potential advantage in constructing a coaxial Bragg cavity with high quality factor for single higher-order-mode operation of a high-power free-electron maser in the terahertz frequency range.

  17. Real-space description of semiconducting band gaps in substitutional systems

    International Nuclear Information System (INIS)

    Magri, R.; Zunger, A.

    1991-01-01

    The goal of ''band-gap engineering'' in substitutional lattices is to identify atomic configurations that would give rise to a desired value of the band gap. Yet, current theoretical approaches to the problems, based largely on compilations of band structures for various latice configurations, have not yielded simple rules relating structural motifs to band gaps. We show that the band gap of substitutional AlAs/GaAs lattices can be usefully expanded in terms of a hierarchy of contributions from real-space ''atomic figures'' (pairs, triplets, quadruplets) detemined from first-principles band-structure calculations. Pair figures (up to fourth neighbors) and three-body figures are dominant. In analogy with similar cluster expansions of the total energy, this permits a systematic search among all lattice configurations for those having ''special'' band gaps. This approach enables the design of substitutional systems with certain band-gap properties by assembling atomic figures. As an illustration, we predict that the [0 bar 12]-oriented (AlAs) 1 /(GaAs) 4 /(AlAs) 1 /(GaAs) 2 superlattice has the largest band gap among all Al 0.25 Ga 0.75 As lattices with a maximum of ten cations per unit cell

  18. High-Penetration Photovoltaic Planning Methodologies

    Energy Technology Data Exchange (ETDEWEB)

    Gao, David Wenzhong [Alternative Power Innovations, LLC, Broomfield, CO (United States); Muljadi, Eduard [National Renewable Energy Lab. (NREL), Golden, CO (United States); Tian, Tian [National Renewable Energy Lab. (NREL), Golden, CO (United States); Miller, Mackay [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2017-02-24

    The main objective of this report is to provide an overview of select U.S. utility methodologies for performing high-penetration photovoltaic (HPPV) system planning and impact studies. This report covers the Federal Energy Regulatory Commission's orders related to photovoltaic (PV) power system interconnection, particularly the interconnection processes for the Large Generation Interconnection Procedures and Small Generation Interconnection Procedures. In addition, it includes U.S. state interconnection standards and procedures. The procedures used by these regulatory bodies consider the impacts of HPPV power plants on the networks. Technical interconnection requirements for HPPV voltage regulation include aspects of power monitoring, grounding, synchronization, connection to the overall distribution system, back-feeds, disconnecting means, abnormal operating conditions, and power quality. This report provides a summary of mitigation strategies to minimize the impact of HPPV. Recommendations and revisions to the standards may take place as the penetration level of renewables on the grid increases and new technologies develop in future years.

  19. Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

    Directory of Open Access Journals (Sweden)

    Sung Heo

    2015-07-01

    Full Text Available The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS and high-energy resolution REELS (HR-REELS. HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS energy was located at approximately 4.2 eV above the valence band maximum (VBM and the surface band gap width (EgS was approximately 6.3 eV. The bulk F center (FB energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were FS and FB, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

  20. Structural, optical and electrical properties of tin oxide thin films for application as a wide band gap semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Sethi, Riti; Ahmad, Shabir; Aziz, Anver; Siddiqui, Azher Majid, E-mail: amsiddiqui@jmi.ac.in [Department of Physics, Jamia Millia Islamia, New Delhi-110025 (India)

    2015-08-28

    Tin oxide (SnO) thin films were synthesized using thermal evaporation technique. Ultra pure metallic tin was deposited on glass substrates using thermal evaporator under high vacuum. The thickness of the tin deposited films was kept at 100nm. Subsequently, the as-deposited tin films were annealed under oxygen environment for a period of 3hrs to obtain tin oxide films. To analyse the suitability of the synthesized tin oxide films as a wide band gap semiconductor, various properties were studied. Structural parameters were studied using XRD and SEM-EDX. The optical properties were studied using UV-Vis Spectrophotometry and the electrical parameters were calculated using the Hall-setup. XRD and SEM confirmed the formation of SnO phase. Uniform texture of the film can be seen through the SEM images. Presence of traces of unoxidised Sn has also been confirmed through the XRD spectra. The band gap calculated was around 3.6eV and the optical transparency around 50%. The higher value of band gap and lower value of optical transparency can be attributed to the presence of unoxidised Sn. The values of resistivity and mobility as measured by the Hall setup were 78Ωcm and 2.92cm{sup 2}/Vs respectively. The reasonable optical and electrical parameters make SnO a suitable candidate for optoelectronic and electronic device applications.

  1. Pressure-Induced Structural Evolution and Band Gap Shifts of Organometal Halide Perovskite-Based Methylammonium Lead Chloride.

    Science.gov (United States)

    Wang, Lingrui; Wang, Kai; Xiao, Guanjun; Zeng, Qiaoshi; Zou, Bo

    2016-12-15

    Organometal halide perovskites are promising materials for optoelectronic devices. Further development of these devices requires a deep understanding of their fundamental structure-property relationships. The effect of pressure on the structural evolution and band gap shifts of methylammonium lead chloride (MAPbCl 3 ) was investigated systematically. Synchrotron X-ray diffraction and Raman experiments provided structural information on the shrinkage, tilting distortion, and amorphization of the primitive cubic unit cell. In situ high pressure optical absorption and photoluminescence spectra manifested that the band gap of MAPbCl 3 could be fine-tuned to the ultraviolet region by pressure. The optical changes are correlated with pressure-induced structural evolution of MAPbCl 3 , as evidenced by band gap shifts. Comparisons between Pb-hybrid perovskites and inorganic octahedra provided insights on the effects of halogens on pressure-induced transition sequences of these compounds. Our results improve the understanding of the structural and optical properties of organometal halide perovskites.

  2. Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures.

    Science.gov (United States)

    Warmuth, Franziska; Körner, Carolin

    2015-12-02

    The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented.

  3. Development of Electromagnetic Band Gap Structures in the Perspective of Microstrip Antenna Design

    Directory of Open Access Journals (Sweden)

    Md. Shahidul Alam

    2013-01-01

    Full Text Available Electromagnetic band gap (EBG technology has become a significant breakthrough in the radio frequency (RF and microwave applications due to their unique band gap characteristics at certain frequency ranges. Since 1999, the EBG structures have been investigated for improving performances of numerous RF and microwave devices utilizing the surface wave suppression and the artificial magnetic conductor (AMC properties of these special type metamaterial. Issues such as compactness, wide bandwidth with low attenuation level, tunability, and suitability with planar circuitry all play an important role in the design of EBG structures. Remarkable efforts have been undertaken for the development of EBG structures to be compatible with a wide range of wireless communication systems. This paper provides a comprehensive review on various EBG structures such as three-, two-, and one-dimensional (3D, 2D, and 1D EBG, mushroom and uniplanar EBG, and their successive advancement. Considering the related fabrication complexities, implementation of vialess EBG is an attractive topic for microwave engineers. For microstrip antennas, EBG structures are used in diversified ways, which of course found to be effective except in some cases. The EBG structures are also successfully utilized in antenna arrays for reducing the mutual coupling between elements of the array. Current challenges and limitations of the typical microstrip antennas and different EBG structures are discussed in details with some possible suggestions. Hopefully, this survey will guide to increasing efforts towards the development of more compact, wideband, and high-efficient uniplanar EBG structures for performance enhancement of antenna and other microwave devices.

  4. Above band gap absorption spectra of the arsenic antisite defect in low temperature grown GaAs and AlGaAs

    DEFF Research Database (Denmark)

    Dankowski, S. U.; Streb, D.; Ruff, M.

    1996-01-01

    coefficients at the band gap are twice as high as for high temperature grown materials. By annealing the samples, we obtained a drastic reduced absorption coefficient below as well as above the band gap. We observed absorption changes up to 17 000 cm(-1) for LT-GaAs and 9000 cm(-1) for LT-AlGaAs taking place......Room temperature absorption spectra of low temperature molecular beam epitaxy grown GaAs (LT-GaAs) and AlGaAs (LT-AlGaAs) are reported. We performed measurements in an extended spectral range from 0.8 eV to photon energies of 2.8 eV far above the band gap. For as-grown LT-materials, the absorption...

  5. Band gap opening in α-graphyne by adsorption of organic molecule

    Science.gov (United States)

    Majidi, R.; Karami, A. R.

    2014-09-01

    The lack of a band gap limits the application of graphyne in nanoelectronic devices. We have investigated possibility of opening a band gap in α-graphyne by adsorption of tetracyanoethylene. The electronic property of α-graphyne in the presence of different numbers of tetracyanoethylene has been studied using density functional theory. It is found that charge is transferred from graphyne sheet to tetracyanoethylene molecules. In the presence of this electron acceptor molecule, a semimetal α-graphyne shows semiconducting property. The energy band gap at the Dirac point is enhanced by increasing the number of tetracyanoethylene. Our results provide a simple method to create and control the band gap in α-graphyne.

  6. Triple photonic band-gap structure dynamically induced in the presence of spontaneously generated coherence

    International Nuclear Information System (INIS)

    Gao Jinwei; Bao Qianqian; Wan Rengang; Cui Cuili; Wu Jinhui

    2011-01-01

    We study a cold atomic sample coherently driven into the five-level triple-Λ configuration for attaining a dynamically controlled triple photonic band-gap structure. Our numerical calculations show that three photonic band gaps with homogeneous reflectivities up to 92% can be induced on demand around the probe resonance by a standing-wave driving field in the presence of spontaneously generated coherence. All these photonic band gaps are severely malformed with probe reflectivities declining rapidly to very low values when spontaneously generated coherence is gradually weakened. The triple photonic band-gap structure can also be attained in a five-level chain-Λ system of cold atoms in the absence of spontaneously generated coherence, which however requires two additional traveling-wave fields to couple relevant levels.

  7. Crystal and defect chemistry influences on band gap trends in alkaline earth perovskites

    International Nuclear Information System (INIS)

    Lee, Soonil; Woodford, William H.; Randall, Clive A.

    2008-01-01

    A number of perovskites with A-site alkaline earth chemistries being Ca, Sr, and Ba, and tetravalent cations including Ce, Zr, and Ti are measured for optical band gap and found to vary systematically with tolerance factor and lattice volume within limits defined by the chemistry of the octahedral site. This paper also focuses on the BaTiO 3 system, considering equilibrated nonstoichiometries, and determines the changes in band gap with respect to Ba/Ti ratios. It was found that the optical band gap changes in the solid solution regime and is invariant in the second phase regions, as would be expected. In the cases of Ba/Ti 1.0 stoichiometries, there is a distinct Urbach tail and the trend with lattice volume no longer holds. It is inferred that the V Ti q prime-2V O partial Schottky complex controls the band gap trend with Ba-rich nonstoichiometries

  8. Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

    International Nuclear Information System (INIS)

    Qi, Jingshan; Li, Xiao; Qian, Xiaofeng

    2016-01-01

    Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z_2 invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route to manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.

  9. Magnonic band gaps in two-dimension magnonic crystals with diffuse interfaces

    International Nuclear Information System (INIS)

    Wang, Qi; Zhang, Huaiwu; Ma, Guokun; Tang, Xiaoli; Liao, Yulong; Zhong, Zhiyong

    2014-01-01

    In this paper, the plane wave method is extended to include the diffuse interface in the calculation of the dispersion of spin waves in two-dimension magnonic crystals. The diffuse interfaces with linear and sinusoidal profiles of variation in the spontaneous magnetization and exchange constant are considered and the effects of the thicknesses and profiles of diffuse interfaces on the magnonic band gaps are investigated. The results show that the thicknesses and profiles of diffuse interfaces are clearly seen to play a significant role in determining the size and position of the magnonic band gaps in the both square and triangular lattices in the exchange interaction regime. The smooth (linear or sinusoidal) interface does not lead to disappearance of the band gaps, instead it may lead to larger band gaps than those in the model with sharp (infinitely thin) diffuse interface under certain conditions

  10. Band gap engineering of N-alloyed Ga2O3 thin films

    Directory of Open Access Journals (Sweden)

    Dongyu Song

    2016-06-01

    Full Text Available The authors report the tuning of band gap of GaON ternary alloy in a wide range of 2.75 eV. The samples were prepared by a two-step nitridation method. First, the samples were deposited on 2-inch fused silica substrates by megnetron sputtering with NH3 and Ar gas for 60 minutes. Then they were annealed in NH3 ambience at different temperatures. The optical band gap energies are calculated from transmittance measurements. With the increase of nitridation temperature, the band gap gradually decreases from 4.8 eV to 2.05 eV. X-ray diffraction results indicate that as-deposited amorphous samples can crystallize into monoclinic and hexagonal structures after they were annealed in oxygen or ammonia ambience, respectively. The narrowing of the band gap is attributed to the enhanced repulsion of N2p -Ga3d orbits and formation of hexagonal structure.

  11. Enhanced Mobility-Lifetime Products in PbS Colloidal Quantum Dot Photovoltaics

    KAUST Repository

    Jeong, Kwang S.; Tang, Jiang; Liu, Huan; Kim, Jihye; Schaefer, Andrew W.; Kemp, Kyle; Levina, Larissa; Wang, Xihua; Hoogland, Sjoerd; Debnath, Ratan; Brzozowski, Lukasz; Sargent, Edward H.; Asbury, John B.

    2012-01-01

    obtained in the visible region in lead chalcogenide CQD photovoltaics. However, the corresponding efficiencies for band gap radiation in the near-infrared lag behind because the thickness of CQD photovoltaic layers from which charge carriers can

  12. Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

    Energy Technology Data Exchange (ETDEWEB)

    Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo; Yanagisawa, Susumu [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, 1 Senbaru, Nishihara, Okinawa 903-0213 (Japan)

    2015-09-14

    By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operates unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.

  13. Attractive electron correlation in wide band gap semiconductors by electron-photon interaction

    International Nuclear Information System (INIS)

    Takeda, Hiroyuki; Yoshino, Katsumi

    2004-01-01

    We theoretically demonstrate attractive electron correlation in wide band gap semiconductors by electron-photon interaction. At low temperature, wavevectors of electromagnetic waves absorbed in wide band gap semiconductors cannot be neglected for wavevectors of electron waves; that is, electromagnetic waves affect the movements of electrons. In particular, attractive interaction occurs between two electrons when one electron changes from a valence band to a conduction band and the other electron changes from a conduction band to a valence band

  14. Investigation of photonic band gaps with special emphasis on hyperuniform structures

    OpenAIRE

    Siedentop, Lukas

    2016-01-01

    A toolbox of considerable size was collected within the course of this work that enables the study of photonic meta materials. It is now possible to successfully simulate, fabricate and moreover characterise meta materials with a photonic band gap. This is of great interest for applications, where waveguides are one possible object of interest, as well as fundamental theoretical investigations, namely identify the properties a pattern needs to posses to form such a photonic band gap, for exam...

  15. Linewidth of Cyclotron Absorption in Band-Gap Graphene: Relaxation Time Approximation vs. Monte Carlo Method

    OpenAIRE

    S.V. Kryuchkov; E.I. Kukhar’; D.V. Zav’yalov

    2015-01-01

    The power of the elliptically polarized electromagnetic radiation absorbed by band-gap graphene in presence of constant magnetic field is calculated. The linewidth of cyclotron absorption is shown to be non-zero even if the scattering is absent. The calculations are performed analytically with the Boltzmann kinetic equation and confirmed numerically with the Monte Carlo method. The dependence of the linewidth of the cyclotron absorption on temperature applicable for a band-gap graphene in the...

  16. Stop Band Gap in Periodic Layers of Confined Atomic Vapor/Dielectric Medium

    International Nuclear Information System (INIS)

    Li Yuan-Yuan; Li Li; Lu Yi-Xin; Zhang Yan-Peng; Xu Ke-Wei

    2013-01-01

    A stop band gap is predicted in periodic layers of a confined atomic vapor/dielectric medium. Reflection and transmission profile of the layers over the band gap can be dramatically modified by the confined atoms and the number of layer periods. These gap and line features can be ascribed to the enhanced contribution of slow atoms induced by atom-wall collision, transient behavior of atom-light interaction and Fabry—Pérot effects in a thermal confined atomic system

  17. Potential high efficiency solar cells: Applications from space photovoltaic research

    Science.gov (United States)

    Flood, D. J.

    1986-01-01

    NASA involvement in photovoltaic energy conversion research development and applications spans over two decades of continuous progress. Solar cell research and development programs conducted by the Lewis Research Center's Photovoltaic Branch have produced a sound technology base not only for the space program, but for terrestrial applications as well. The fundamental goals which have guided the NASA photovoltaic program are to improve the efficiency and lifetime, and to reduce the mass and cost of photovoltaic energy conversion devices and arrays for use in space. The major efforts in the current Lewis program are on high efficiency, single crystal GaAs planar and concentrator cells, radiation hard InP cells, and superlattice solar cells. A brief historical perspective of accomplishments in high efficiency space solar cells will be given, and current work in all of the above categories will be described. The applicability of space cell research and technology to terrestrial photovoltaics will be discussed.

  18. Controlling the Morphology of BDTT-DPP-Based Small Molecules via End-Group Functionalization for Highly Efficient Single and Tandem Organic Photovoltaic Cells.

    Science.gov (United States)

    Kim, Ji-Hoon; Park, Jong Baek; Yang, Hoichang; Jung, In Hwan; Yoon, Sung Cheol; Kim, Dongwook; Hwang, Do-Hoon

    2015-11-04

    A series of narrow-band gap, π-conjugated small molecules based on diketopyrrolopyrrole (DPP) electron acceptor units coupled with alkylthienyl-substituted-benzodithiophene (BDTT) electron donors were designed and synthesized for use as donor materials in solution-processed organic photovoltaic cells. In particular, by end-group functionalization of the small molecules with fluorine derivatives, the nanoscale morphologies of the photoactive layers of the photovoltaic cells were successfully controlled. The influences of different fluorine-based end-groups on the optoelectronic and morphological properties, carrier mobilities, and the photovoltaic performances of these materials were investigated. A high power conversion efficiency (PCE) of 6.00% under simulated solar light (AM 1.5G) illumination has been achieved for organic photovoltaic cells based on a small-molecule bulk heterojunction system consisting of a trifluoromethylbenzene (CF3) end-group-containing oligomer (BDTT-(DPP)2-CF3) as the donor and [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) as the acceptor. As a result, the introduction of CF3 end-groups has been found to enhance both the short circuit current density (JSC) and fill factor (FF). A tandem photovoltaic device comprising an inverted BDTT-(DPP)2-CF3:PC71BM cell and a poly(3-hexylthiophene) (P3HT):indene-C60-bisadduct (IC60BA)-based cell as the top and bottom cell components, respectively, showed a maximum PCE of 8.30%. These results provide valuable guidelines for the rational design of conjugated small molecules for applications in high-performance organic photovoltaic cells. Furthermore, to the best of our knowledge, this is the first report on the design of fluorine-functionalized BDTT-DPP-based small molecules, which have been shown to be a viable candidate for use in inverted tandem cells.

  19. InGaN High Temperature Photovoltaic Cells, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The objectives of this Phase II project are to develop InGaN photovoltaic cells for high temperature and/or high radiation environments to TRL 4 and to define the...

  20. Exploring single-layered SnSe honeycomb polymorphs for optoelectronic and photovoltaic applications

    Science.gov (United States)

    Ul Haq, Bakhtiar; AlFaify, S.; Ahmed, R.; Butt, Faheem K.; Laref, A.; Shkir, Mohd.

    2018-02-01

    Single-layered tin selenide that shares the same structure with phosphorene and possesses intriguing optoelectronic properties has received great interest as a two-dimensional material beyond graphene and phosphorene. Herein, we explore the optoelectronic response of the newly discovered stable honeycomb derivatives (such as α , β , γ , δ , and ɛ ) of single-layered SnSe in the framework of density functional theory. The α , β , γ , and δ derivatives of a SnSe monolayer have been found to exhibit an indirect band gap, however, the dispersion of their band-gap edges demonstrates multiple direct band gaps at a relatively high energy. The ɛ -SnSe, however, features an intrinsic direct band gap at the high-symmetry Γ point. Their energy band gaps (0.53, 2.32, 1.52, 1.56, and 1.76 eV for α -, β -, γ -, δ -, and ɛ -SnSe, respectively), calculated at the level of the Tran-Blaha modified Becke-Johnson approach, mostly fall right in the visible range of the electromagnetic spectrum and are in good agreement with the available literature. The optical spectra of these two-dimensional (2D) SnSe polymorphs (besides β -SnSe) are highly anisotropic and possess strictly different optical band gaps along independent diagonal components. They show high absorption in the visible and UV ranges. Similarly, the reflectivity, refraction, and optical conductivities inherit strong anisotropy from the dielectric functions as well and are highly visible-UV polarized along the cartesian coordinates, showing them to be suitable for optical filters, polarizers, and shields against UV radiation. Our investigations suggest these single-layered SnSe allotropes as a promising 2D material for next-generation nanoscale optoelectronic and photovoltaic applications beyond graphene and phosphorene.

  1. Photovoltaic performance of a Cd1−xMgxTe/CdS top-cell structure

    International Nuclear Information System (INIS)

    Martinez, Omar S.; Regalado-Pérez, E.; Mathews, N.R.; Morales, Erik R.; Reyes-Coronado, David; Galvez, Geovanni Hernández; Mathew, Xavier

    2015-01-01

    In this paper we report the progress in developing a wide band gap alloy material based on CdTe to use as the top-cell absorber in tandem solar cells. High photovoltaic performance for a Cd 1−x Mg x Te/CdS top-cell was achieved by tuning the composition of the Cd 1−x Mg x Te film, and optimizing the device processing. We have carried out studies on the effect of vapor chloride treatment of the Cd 1−x Mg x Te/CdS device and the thermal annealing of the Cu/Au contacts on the opto-electronic properties of the device. With improved contact processing and post deposition treatments, we were able to achieve 9.3% efficiency for a 1.6 eV band gap top-cell; Cd 1−x Mg x Te/CdS on conductive glass substrate. - Highlights: • Cd 1−x Mg x Te films obtained by co-evaporation of CdTe and Mg • Band gap of Cd 1−x Mg x Te can be easily tuned by verifying x. • Band gap of Cd 1−x Mg x Te is stable only for short annealing durations. • Obtained efficiency of a Cd 1−x Mg x Te based device with a band gap of 1.6 eV is 9.3%

  2. Cation-induced band-gap tuning in organohalide perovskites: interplay of spin-orbit coupling and octahedra tilting.

    Science.gov (United States)

    Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin, Md K; Grätzel, Michael; De Angelis, Filippo

    2014-06-11

    Organohalide lead perovskites have revolutionized the scenario of emerging photovoltaic technologies. The prototype MAPbI3 perovskite (MA = CH3NH3(+)) has dominated the field, despite only harvesting photons above 750 nm (∼1.6 eV). Intensive research efforts are being devoted to find new perovskites with red-shifted absorption onset, along with good charge transport properties. Recently, a new perovskite based on the formamidinium cation ((NH2)2CH(+) = FA) has shown potentially superior properties in terms of band gap and charge transport compared to MAPbI3. The results have been interpreted in terms of the cation size, with the larger FA cation expectedly delivering reduced band-gaps in Pb-based perovskites. To provide a full understanding of the interplay among size, structure, and organic/inorganic interactions in determining the properties of APbI3 perovskites, in view of designing new materials and fully exploiting them for solar cells applications, we report a fully first-principles investigation on APbI3 perovskites with A = Cs(+), MA, and FA. Our results evidence that the tetragonal-to-quasi cubic structural evolution observed when moving from MA to FA is due to the interplay of size effects and enhanced hydrogen bonding between the FA cations and the inorganic matrix altering the covalent/ionic character of Pb-I bonds. Most notably, the observed cation-induced structural variability promotes markedly different electronic and optical properties in the MAPbI3 and FAPbI3 perovskites, mediated by the different spin-orbit coupling, leading to improved charge transport and red-shifted absorption in FAPbI3 and in general in pseudocubic structures. Our theoretical model constitutes the basis for the rationale design of new and more efficient organohalide perovskites for solar cells applications.

  3. Hybrid functional band gap calculation of SnO6 containing perovskites and their derived structures

    International Nuclear Information System (INIS)

    Lee, Hyewon; Cheong, S.W.; Kim, Bog G.

    2015-01-01

    We have studied the properties of SnO 6 octahedra-containing perovskites and their derived structures using ab initio calculations with different density functionals. In order to predict the correct band gap of the materials, we have used B3LYP hybrid density functional, and the results of B3LYP were compared with those obtained using the local density approximation and generalized gradient approximation data. The calculations have been conducted for the orthorhombic ground state of the SnO 6 containing perovskites. We also have expended the hybrid density functional calculation to the ASnO 3 /A'SnO 3 system with different cation orderings. We propose an empirical relationship between the tolerance factor and the band gap of SnO 6 containing oxide materials based on first principles calculation. - Graphical abstract: (a) Structure of ASnO 3 for orthorhombic ground state. The green ball is A (Ba, Sr, Ca) cation and the small (red) ball on edge is oxygen. SnO 6 octahedrons are plotted as polyhedron. (b) Band gap of ASnO 3 as a function of the tolerance factor for different density functionals. The experimental values of the band gap are marked as green pentagons. (c) ASnO 3 /A'SnO 3 superlattices with two types cation arrangement: [001] layered structure and [111] rocksalt structure, respectively. (d) B3LYP hybrid functional band gaps of ASnO 3 , [001] ordered superlattices, and [111] ordered superlattices of ASnO 3 /A'SnO 3 as a function of the effective tolerance factor. Note the empirical linear relationship between the band gap and effective tolerance factor. - Highlights: • We report the hybrid functional band gap calculation of ASnO 3 and ASnO 3 /A'SnO 3 . • The band gap of ASnO 3 using B3LYP functional reproduces the experimental value. • We propose the linear relationship between the tolerance factor and the band gap

  4. Fused thiophene/quinoxaline low band gap polymers for photovoltaic's with increased photochemical stability

    DEFF Research Database (Denmark)

    Carlé, Jon Eggert; Jørgensen, Mikkel; Manceau, Matthieu

    2011-01-01

    and inverted geometry were prepared and tested in air. The normal geometry devices showed the highest efficiencies compared to the inverted, in particular owing to a higher Voc, with TQ1 being the most efficient with a power conversion efficiency (PCE) of 1.5% (1000 W m−2, AM1.5 G). For the inverted devices TQ...

  5. Low-band gap donor-acceptor copolymers containing thienothiadiazole units for photovoltaics

    Czech Academy of Sciences Publication Activity Database

    Cimrová, Věra; Kmínek, Ivan; Pavlačková, Petra; Výprachtický, Drahomír

    2011-01-01

    Roč. 33, č. 17 (2011), s. 119-127 ISSN 1938-5862. [ECS Meeting /218./. Las Vegas, 10.10.2010-15.10.2010] R&D Projects: GA MŠk(CZ) 1M06031 Institutional research plan: CEZ:AV0Z40500505 Keywords : fluorene * thiophene * thienothiadiazole Subject RIV: BM - Solid Matter Physics ; Magnetism

  6. Multi-cavity locally resonant structure with the low frequency and broad band-gaps

    Directory of Open Access Journals (Sweden)

    Jiulong Jiang

    2016-11-01

    Full Text Available A multi-cavity periodic structure with the characteristic of local resonance was proposed in the paper. The low frequency band-gap structure was comparatively analyzed by the finite element method (FEM and electric circuit analogy (ECA. Low frequency band-gap can be opened through the dual influence of the coupling’s resonance in the cavity and the interaction among the couplings between structures. Finally, the influence of the structural factors on the band-gap was analyzed. The results show that the structure, which is divided into three parts equally, has a broader effective band-gap below the frequency of 200 Hz. It is also proved that reducing the interval between unit structures can increase the intensity of the couplings among the structures. And in this way, the width of band-gap would be expanded significantly. Through the parameters adjustment, the structure enjoys a satisfied sound insulation effect below the frequency of 500Hz. In the area of low frequency noise reduction, the structure has a lot of potential applications.

  7. The band gap of II-Vi ternary alloys in a tight-binding description

    Energy Technology Data Exchange (ETDEWEB)

    Olguin, Daniel; Blanquero, Rafael [Instituto Politecnico Nacional, Mexico, D.F (Mexico); De Coss, Romeo [Instituto Politecnico Nacional, Yucatan (Mexico)

    2001-02-01

    We present tight-binding calculations for the band gap of II-Vi pseudobinary ternary alloys. We use an sp{sup 3} s* tight-binding Hamiltonian which include spin-orbit coupling. The band gap composition dependence is calculated using a extended version of the virtual crystal approximation, which introduce an empirical correction factor that takes into account the non-linear dependence of the band gap with the composition. The results compare quite well with the experimental data, both for the ternary alloys with wide band gap and for the narrow band gap ones. [Spanish] Presentamos el calculo de la banda de energia prohibida de aleaciones ternarias de compuestos II-VI. El calculo, que incluye interaccion espin-orbita, se hace con el metodo de enlace fuerte, utilizando una base ortogonal de cinco orbitales atomicos por atomo (sp{sup 3} s*), en conjunto con la aproximacion del cristal virtual. En la aproximacion del cristal virtual, incluimos un factor de correccion que toma en cuenta la no linealidad de la banda de energia prohibida como funcion de la concentracion. Con esta correccion nuestros resultados reproducen aceptablemente los datos experimentales hallados en la literatura.

  8. Direct optical band gap measurement in polycrystalline semiconductors: A critical look at the Tauc method

    International Nuclear Information System (INIS)

    Dolgonos, Alex; Mason, Thomas O.; Poeppelmeier, Kenneth R.

    2016-01-01

    The direct optical band gap of semiconductors is traditionally measured by extrapolating the linear region of the square of the absorption curve to the x-axis, and a variation of this method, developed by Tauc, has also been widely used. The application of the Tauc method to crystalline materials is rooted in misconception–and traditional linear extrapolation methods are inappropriate for use on degenerate semiconductors, where the occupation of conduction band energy states cannot be ignored. A new method is proposed for extracting a direct optical band gap from absorption spectra of degenerately-doped bulk semiconductors. This method was applied to pseudo-absorption spectra of Sn-doped In 2 O 3 (ITO)—converted from diffuse-reflectance measurements on bulk specimens. The results of this analysis were corroborated by room-temperature photoluminescence excitation measurements, which yielded values of optical band gap and Burstein–Moss shift that are consistent with previous studies on In 2 O 3 single crystals and thin films. - Highlights: • The Tauc method of band gap measurement is re-evaluated for crystalline materials. • Graphical method proposed for extracting optical band gaps from absorption spectra. • The proposed method incorporates an energy broadening term for energy transitions. • Values for ITO were self-consistent between two different measurement methods.

  9. Robust indirect band gap and anisotropy of optical absorption in B-doped phosphorene.

    Science.gov (United States)

    Wu, Zhi-Feng; Gao, Peng-Fei; Guo, Lei; Kang, Jun; Fang, Dang-Qi; Zhang, Yang; Xia, Ming-Gang; Zhang, Sheng-Li; Wen, Yu-Hua

    2017-12-06

    A traditional doping technique plays an important role in the band structure engineering of two-dimensional nanostructures. Since electron interaction is changed by doping, the optical and electrochemical properties could also be significantly tuned. In this study, density functional theory calculations have been employed to explore the structural stability, and electronic and optical properties of B-doped phosphorene. The results show that all B-doped phosphorenes are stable with a relatively low binding energy. Of particular interest is that these B-doped systems exhibit an indirect band gap, which is distinct from the direct one of pure phosphorene. Despite the different concentrations and configurations of B dopants, such indirect band gaps are robust. The screened hybrid density functional HSE06 predicts that the band gap of B-doped phosphorene is slightly smaller than that of pure phosphorene. Spatial charge distributions at the valence band maximum (VBM) and the conduction band minimum (CBM) are analyzed to understand the features of an indirect band gap. By comparison with pure phosphorene, B-doped phosphorenes exhibit strong anisotropy and intensity of optical absorption. Moreover, B dopants could enhance the stability of Li adsorption on phosphorene with less sacrifice of the Li diffusion rate. Our results suggest that B-doping is an effective way of tuning the band gap, enhancing the intensity of optical absorption and improving the performances of Li adsorption, which could promote potential applications in novel optical devices and lithium-ion batteries.

  10. Robust band gap and half-metallicity in graphene with triangular perforations

    Science.gov (United States)

    Gregersen, Søren Schou; Power, Stephen R.; Jauho, Antti-Pekka

    2016-06-01

    Ideal graphene antidot lattices are predicted to show promising band gap behavior (i.e., EG≃500 meV) under carefully specified conditions. However, for the structures studied so far this behavior is critically dependent on superlattice geometry and is not robust against experimentally realistic disorders. Here we study a rectangular array of triangular antidots with zigzag edge geometries and show that their band gap behavior qualitatively differs from the standard behavior which is exhibited, e.g., by rectangular arrays of armchair-edged triangles. In the spin unpolarized case, zigzag-edged antidots give rise to large band gaps compared to armchair-edged antidots, irrespective of the rules which govern the existence of gaps in armchair-edged antidot lattices. In addition the zigzag-edged antidots appear more robust than armchair-edged antidots in the presence of geometrical disorder. The inclusion of spin polarization within a mean-field Hubbard approach gives rise to a large overall magnetic moment at each antidot due to the sublattice imbalance imposed by the triangular geometry. Half-metallic behavior arises from the formation of spin-split dispersive states near the Fermi energy, reducing the band gaps compared to the unpolarized case. This behavior is also found to be robust in the presence of disorder. Our results highlight the possibilities of using triangular perforations in graphene to open electronic band gaps in systems with experimentally realistic levels of disorder, and furthermore, of exploiting the strong spin dependence of the system for spintronic applications.

  11. Efficient H2 production over Au/graphene/TiO2 induced by surface plasmon resonance of Au and band-gap excitation of TiO2

    International Nuclear Information System (INIS)

    Liu, Yang; Yu, Hongtao; Wang, Hua; Chen, Shuo; Quan, Xie

    2014-01-01

    Highlights: • Both surface plasmon resonance and band-gap excitation were used for H 2 production. • Au/Gr/TiO 2 composite photocatalyst was synthesized. • Au/Gr/TiO 2 exhibited enhancement of light absorption and charge separation. • H 2 production rate of Au/Gr/TiO 2 was about 2 times as high as that of Au/TiO 2 . - Abstract: H 2 production over Au/Gr/TiO 2 composite photocatalyst induced by surface plasmon resonance of Au and band-gap excitation of TiO 2 using graphene (Gr) as an electron acceptor has been investigated. Electron paramagnetic resonance study indicated that, in this composite, Gr collected electrons not only from Au with surface plasmon resonance but also from TiO 2 with band-gap excitation. Surface photovoltage and UV–vis absorption measurements revealed that compared with Au/TiO 2 , Au/Gr/TiO 2 displayed more effective photogenerated charge separation and higher optical absorption. Benefiting from these advantages, the H 2 production rate of Au/Gr/TiO 2 composite with Gr content of 1.0 wt% and Au content of 2.0 wt% was about 2 times as high as that of Au/TiO 2 . This work represents an important step toward the efficient application of both surface plasmon resonance and band-gap excitation on the way to converting solar light into chemical energy

  12. Band-gap-confinement and image-state-recapture effects in the survival of anions scattered from metal surfaces

    International Nuclear Information System (INIS)

    Schmitz, Andrew; Shaw, John; Chakraborty, Himadri S.; Thumm, Uwe

    2010-01-01

    The resonant charge transfer process in the collision of hydrogen anions with metal surfaces is described within a single-active-electron wave-packet propagation method. The ion-survival probability is found to be strongly enhanced at two different surface-specific perpendicular velocities of the ion. It is shown that, while the low-velocity enhancement is induced from a dynamical confinement of the ion level inside the band gap, the high-velocity enhancement is due to electron recapture from transiently populated image states. Results are presented for Li(110), Cu(111), and Pd(111) surfaces.

  13. Efficient propagation of TM polarized light in photonic crystal components exhibiting band gaps for TE polarized light

    DEFF Research Database (Denmark)

    Borel, Peter Ingo; Frandsen, Lars Hagedorn; Thorhauge, Morten

    2003-01-01

    We have investigated the properties of TM polarized light in planar photonic crystal waveguide structures, which exhibit photonic band gaps for TE polarized light. Straight and bent photonic crystal waveguides and couplers have been fabricated in silicon-on-insulator material and modelled using a 3......D finite-difference-time-domain method. The simulated spectra are in excellent agreement with the experimental results, which show a propagation loss as low as 2.5±4 dB/mm around 1525 nm and bend losses at 2.9±0.2 dB for TM polarized light. We demonstrate a high coupling for TM polarized light...

  14. Quantum gate for Q switching in monolithic photonic-band-gap cavities containing two-level atoms

    International Nuclear Information System (INIS)

    Greentree, Andrew D.; Prawer, Steven; Hollenberg, Lloyd C. L.; Salzman, J.

    2006-01-01

    Photonic-band-gap cavities are prime solid-state systems to investigate light-matter interactions in the strong coupling regime. However, as the cavity is defined by the geometry of the periodic dielectric pattern, cavity control in a monolithic structure can be problematic. Thus, either the state coherence is limited by the read-out channel, or in a high-Q cavity, it is nearly decoupled from the external world, making measurement of the state extremely challenging. We present here a method for ameliorating these difficulties by using a coupled cavity arrangement, where one cavity acts as a switch for the other cavity, tuned by control of the atomic transition

  15. Band gap and polarizability of boro-tellurite glass: Influence of erbium ions

    Science.gov (United States)

    Said Mahraz, Zahra Ashur; Sahar, M. R.; Ghoshal, S. K.

    2014-08-01

    Understanding the influence of rare earth ions in improving the structural and optical properties of inorganic glasses are the key issues. Er3+-doped zinc boro-tellurite glasses with composition 30B2O3-10ZnO-(60-x) TeO2-xEr2O3 are prepared (x = 0, 0.5, 1, 1.5 and 2 mol%) using melt quenching technique. The physical and optical characterizations are measured by density and UV-Vis-IR absorption spectroscopy. The color of the glass changed from light yellow to deep pink due to the introduction of Er3+ ions. The maximum density is found to be ∼4.73 g cm-3 for 1 mol% of Er3+ doping. The variations in the polarizability (6.7-6.8 cm3) and the molar volume (27.987-28.827 cm3 mol-1) with dopant concentration are ascribed to the formation of non-bridging oxygen. This observation is consistent with the alteration of number of bonds per unit volume. The direct and indirect optical band gaps are increased while the phonon cut-off wavelength and Urbach energy decreased with the increase of erbium content. A high density and wide transparency range in VIS-IR area are achieved. Our results on high refractive index (∼2.416) and polarizability suggest that these glasses are potential for photonics, solid state lasers and communications devices.

  16. Acceptor-modulated optical enhancements and band-gap narrowing in ZnO thin films

    Science.gov (United States)

    Hassan, Ali; Jin, Yuhua; Irfan, Muhammad; Jiang, Yijian

    2018-03-01

    Fermi-Dirac distribution for doped semiconductors and Burstein-Moss effect have been correlated first time to figure out the conductivity type of ZnO. Hall Effect in the Van der Pauw configuration has been applied to reconcile our theoretical estimations which evince our assumption. Band-gap narrowing has been found in all p-type samples, whereas blue Burstein-Moss shift has been recorded in the n-type films. Atomic Force Microscopic (AFM) analysis shows that both p-type and n-type films have almost same granular-like structure with minor change in average grain size (˜ 6 nm to 10 nm) and surface roughness rms value 3 nm for thickness ˜315 nm which points that grain size and surface roughness did not play any significant role in order to modulate the conductivity type of ZnO. X-ray diffraction (XRD), Energy Dispersive X-ray Spectroscopy (EDS) and X-ray Photoelectron Spectroscopy (XPS) have been employed to perform the structural, chemical and elemental analysis. Hexagonal wurtzite structure has been observed in all samples. The introduction of nitrogen reduces the crystallinity of host lattice. 97% transmittance in the visible range with 1.4 × 107 Ω-1cm-1 optical conductivity have been detected. High absorption value in the ultra-violet (UV) region reveals that NZOs thin films can be used to fabricate next-generation high-performance UV detectors.

  17. Acceptor-modulated optical enhancements and band-gap narrowing in ZnO thin films

    Directory of Open Access Journals (Sweden)

    Ali Hassan

    2018-03-01

    Full Text Available Fermi-Dirac distribution for doped semiconductors and Burstein-Moss effect have been correlated first time to figure out the conductivity type of ZnO. Hall Effect in the Van der Pauw configuration has been applied to reconcile our theoretical estimations which evince our assumption. Band-gap narrowing has been found in all p-type samples, whereas blue Burstein-Moss shift has been recorded in the n-type films. Atomic Force Microscopic (AFM analysis shows that both p-type and n-type films have almost same granular-like structure with minor change in average grain size (∼ 6 nm to 10 nm and surface roughness rms value 3 nm for thickness ∼315 nm which points that grain size and surface roughness did not play any significant role in order to modulate the conductivity type of ZnO. X-ray diffraction (XRD, Energy Dispersive X-ray Spectroscopy (EDS and X-ray Photoelectron Spectroscopy (XPS have been employed to perform the structural, chemical and elemental analysis. Hexagonal wurtzite structure has been observed in all samples. The introduction of nitrogen reduces the crystallinity of host lattice. 97% transmittance in the visible range with 1.4 × 107 Ω-1cm-1 optical conductivity have been detected. High absorption value in the ultra-violet (UV region reveals that NZOs thin films can be used to fabricate next-generation high-performance UV detectors.

  18. Ultrawide Band Gap β-Ga2O3 Nanomechanical Resonators with Spatially Visualized Multimode Motion.

    Science.gov (United States)

    Zheng, Xu-Qian; Lee, Jaesung; Rafique, Subrina; Han, Lu; Zorman, Christian A; Zhao, Hongping; Feng, Philip X-L

    2017-12-13

    Beta gallium oxide (β-Ga 2 O 3 ) is an emerging ultrawide band gap (4.5 eV-4.9 eV) semiconductor with attractive properties for future power electronics, optoelectronics, and sensors for detecting gases and ultraviolet radiation. β-Ga 2 O 3 thin films made by various methods are being actively studied toward such devices. Here, we report on the experimental demonstration of single-crystal β-Ga 2 O 3 nanomechanical resonators using β-Ga 2 O 3 nanoflakes grown via low-pressure chemical vapor deposition (LPCVD). By investigating β-Ga 2 O 3 circular drumhead structures, we demonstrate multimode nanoresonators up to the sixth mode in high and very high frequency (HF/VHF) bands, and also realize spatial mapping and visualization of the multimode motion. These measurements reveal a Young's modulus of E Y = 261 GPa and anisotropic biaxial built-in tension of 37.5 MPa and 107.5 MPa. We find that thermal annealing can considerably improve the resonance characteristics, including ∼40% upshift in frequency and ∼90% enhancement in quality (Q) factor. This study lays a foundation for future exploration and development of mechanically coupled and tunable β-Ga 2 O 3 electronic, optoelectronic, and physical sensing devices.

  19. Multiphysics modelling and experimental validation of high concentration photovoltaic modules

    International Nuclear Information System (INIS)

    Theristis, Marios; Fernández, Eduardo F.; Sumner, Mike; O'Donovan, Tadhg S.

    2017-01-01

    Highlights: • A multiphysics modelling approach for concentrating photovoltaics was developed. • An experimental campaign was conducted to validate the models. • The experimental results were in good agreement with the models. • The multiphysics modelling allows the concentrator’s optimisation. - Abstract: High concentration photovoltaics, equipped with high efficiency multijunction solar cells, have great potential in achieving cost-effective and clean electricity generation at utility scale. Such systems are more complex compared to conventional photovoltaics because of the multiphysics effect that is present. Modelling the power output of such systems is therefore crucial for their further market penetration. Following this line, a multiphysics modelling procedure for high concentration photovoltaics is presented in this work. It combines an open source spectral model, a single diode electrical model and a three-dimensional finite element thermal model. In order to validate the models and the multiphysics modelling procedure against actual data, an outdoor experimental campaign was conducted in Albuquerque, New Mexico using a high concentration photovoltaic monomodule that is thoroughly described in terms of its geometry and materials. The experimental results were in good agreement (within 2.7%) with the predicted maximum power point. This multiphysics approach is relatively more complex when compared to empirical models, but besides the overall performance prediction it can also provide better understanding of the physics involved in the conversion of solar irradiance into electricity. It can therefore be used for the design and optimisation of high concentration photovoltaic modules.

  20. Band gap of β-PtO2 from first-principles

    Directory of Open Access Journals (Sweden)

    Yong Yang

    2012-06-01

    Full Text Available We studied the band gap of β-PtO2 using first-principles calculations based on density functional theory (DFT. The results are obtained within the framework of the generalized gradient approximation (GGA, GGA+U, GW, and the hybrid functional methods. For the different types of calculations, the calculated band gap increases from ∼0.46 eV to 1.80 eV. In particular, the band gap by GW (conventional and self-consistent calculation shows a tendency of converging to ∼1.25 ± 0.05 eV. The effect of on-site Coulomb interaction on the bonding characteristics is also analyzed.

  1. Robust band gap and half-metallicity in graphene with triangular perforations

    DEFF Research Database (Denmark)

    Gregersen, Søren Schou; Power, Stephen; Jauho, Antti-Pekka

    2016-01-01

    Ideal graphene antidot lattices are predicted to show promising band gap behavior (i.e., EG ≅ 500 meV) under carefully specified conditions. However, for the structures studied so far this behavior is critically dependent on superlattice geometry and is not robust against experimentally realistic...... disorders. Here we study a rectangular array of triangular antidots with zigzag edge geometries and show that their band gap behavior qualitatively differs from the standard behavior which is exhibited, e.g., by rectangular arrays of armchair-edged triangles. In the spin unpolarized case, zigzag......-edged antidots give rise to large band gaps compared to armchair-edged antidots, irrespective of the rules which govern the existence of gaps in armchair-edged antidot lattices. In addition the zigzag-edged antidots appear more robust than armchair-edged antidots in the presence of geometrical disorder...

  2. Tuning the band gap in hybrid tin iodide perovskite semiconductors using structural templating.

    Science.gov (United States)

    Knutson, Jeremy L; Martin, James D; Mitzi, David B

    2005-06-27

    Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.

  3. Inverse problem of the vibrational band gap of periodically supported beam

    Science.gov (United States)

    Shi, Xiaona; Shu, Haisheng; Dong, Fuzhen; Zhao, Lei

    2017-04-01

    The researches of periodic structures have a long history with the main contents confined in the field of forward problem. In this paper, the inverse problem is considered and an overall frame is proposed which includes two main stages, i.e., the band gap criterion and its optimization. As a preliminary investigation, the inverse problem of the flexural vibrational band gap of a periodically supported beam is analyzed. According to existing knowledge of its forward problem, the band gap criterion is given in implicit form. Then, two cases with three independent parameters, namely the double supported case and the triple one, are studied in detail and the explicit expressions of the feasible domain are constructed by numerical fitting. Finally, the parameter optimization of the double supported case with three variables is conducted using genetic algorithm aiming for the best mean attenuation within specified frequency band.

  4. Tunable band gap and optical properties of surface functionalized Sc2C monolayer

    International Nuclear Information System (INIS)

    Wang Shun; Du Yu-Lei; Liao Wen-He

    2017-01-01

    Using the density functional theory, we have investigated the electronic and optical properties of two-dimensional Sc 2 C monolayer with OH, F, or O chemical groups. The electronic structures reveal that the functionalized Sc 2 C monolayers are semiconductors with a band gap of 0.44–1.55 eV. The band gap dependent optical parameters, like dielectric function, absorption coefficients, reflectivity, loss function, and refraction index were also calculated for photon energy up to 20 eV. At the low-energy region, each optical parameter shifts to red, and the peak increases obviously with the increase of the energy gap. Consequently, Sc 2 C monolayer with a tunable band gap by changing the type of surface chemical groups is a promising 2D material for optoelectronic devices. (paper)

  5. Tuning of band gap due to fluorination of graphyne and graphdiyne

    International Nuclear Information System (INIS)

    Bhattacharya, B; Singh, N B; Sarkar, U

    2014-01-01

    The electronic properties of graphyne and graphdiyne consisting of sp and sp 2 hybridized carbon atom have been investigated within the density functional theory (DFT) method. The corresponding changes in the electronic properties due to systematic functionalization by fluorine at different possible sites are reported. Our band structure calculations clearly infer that all fluorographyne are wide band gap semiconductor and the band gap can be tuned by fluorination and the possibility of modulating the band gap provides flexibility for its use in nanoelectronic devices. Projected density of state (PDOS) analysis provides the clear idea about the bonding nature of these novel materials in details and Crystal Orbital Hamilton Population (-COHP) analysis shed insight on the orbital participating in bonding and antibonding

  6. Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.

    Science.gov (United States)

    Monastyrskii, Liubomyr S; Sokolovskii, Bogdan S; Alekseichyk, Mariya P

    2017-12-01

    The paper theoretically investigates the peculiarities of energy diagram of asymmetric graded-band-gap superlattices with linear coordinate dependences of band gap and electron affinity. For calculating the energy diagram of asymmetric graded-band-gap superlattices, linearized Poisson's equation has been solved for the two layers forming a period of the superlattice. The obtained coordinate dependences of edges of the conduction and valence bands demonstrate substantial transformation of the shape of the energy diagram at changing the period of the lattice and the ratio of width of the adjacent layers. The most marked changes in the energy diagram take place when the period of lattice is comparable with the Debye screening length. In the case when the lattice period is much smaller that the Debye screening length, the energy diagram has the shape of a sawtooth-like pattern.

  7. Graphene-induced band gap renormalization in polythiophene: a many-body perturbation study

    Science.gov (United States)

    Marsusi, F.; Fedorov, I. A.; Gerivani, S.

    2018-01-01

    Density functional theory and many-body perturbation theory at the G0W0 level are employed to study the electronic properties of polythiophene (PT) adsorbed on the graphene surface. Analysis of the charge density difference shows that substrate-adsorbate interaction leads to a strong physisorption and interfacial electric dipole moment formation. The electrostatic potential displays a  -0.19 eV shift in the graphene work function from its initial value of 4.53 eV, as the result of the interaction. The LDA band gap of the polymer does not show any change. However, the band structure exhibits weak orbital hybridizations resulting from slight overlapping between the polymer and graphene states wave functions. The interfacial polarization effects on the band gap and levels alignment are investigated at the G0W0 level and show a notable reduction of PT band gap compared to that of the isolated chain.

  8. Determination of optical band gap of powder-form nanomaterials with improved accuracy

    Science.gov (United States)

    Ahsan, Ragib; Khan, Md. Ziaur Rahman; Basith, Mohammed Abdul

    2017-10-01

    Accurate determination of a material's optical band gap lies in the precise measurement of its absorption coefficients, either from its absorbance via the Beer-Lambert law or diffuse reflectance spectrum via the Kubelka-Munk function. Absorption coefficients of powder-form nanomaterials calculated from absorbance spectrum do not match those calculated from diffuse reflectance spectrum, implying the inaccuracy of the traditional optical band gap measurement method for such samples. We have modified the Beer-Lambert law and the Kubelka-Munk function with proper approximations for powder-form nanomaterials. Applying the modified method for powder-form nanomaterial samples, both absorbance and diffuse reflectance spectra yield exactly the same absorption coefficients and therefore accurately determine the optical band gap.

  9. Strategies toward High Performance Organic Photovoltaic Cell: Material and Process

    Science.gov (United States)

    Kim, Bong Gi

    The power conversion efficiency of organic photovoltaic (OPV) cells has been rapidly improved during the last few years and currently reaches around 10 %. The performance is evenly governed by absorption, exciton diffusion, exciton dissociation, carrier transfer, and collection efficiencies. Establishing a better understanding of OPV device physics combined with the development of new materials for each executive step contributes to this dramatic improvement. This dissertation focuses mainly on material design and development to correlate the intrinsic properties of organic semiconductors and the OPV performance. The introductory Chapter 1 briefly reviews the motivation of OPV research, its working mechanism, and representative organic materials for OPV application. Chapter 2 discusses the modulation of conjugated polymer's (CP's) absorption behavior and an efficient semi-empirical approach to predict CP's energy levels from its constituent monomers' HOMO/LUMO values. A strong acceptor lowered both the HOMO and LUMO levels of the CP, but the LUMO dropped more rapidly which ultimately produced a narrowed band-gap in the electron donating/accepting alternating copolymer system. In addition, the energy level difference between the CP and the constituent monomers converged to a constant value, providing an energy level prediction tool. Chapter 3 illustrates the systematic investigation on the relationship between the molecular structure of an energy harvesting organic dye and the exciton dissociation efficiency. The study showed that the quantum yield decreased as the exciton binding energy increases, and dipole moment direction should be properly oriented in the dye framework in order to improve photo-current generation when used in a dye sensitized photovoltaic device. Chapter 4 demonstrates the ultrasonic-assisted self-assembly of CPs in solution, rapidly and efficiently. Ultrasonication combined with dipolar media accelerated CP's aggregation, and the effect of CP

  10. High-Efficient Low-Cost Photovoltaics Recent Developments

    CERN Document Server

    Petrova-Koch, Vesselinka; Goetzberger, Adolf

    2009-01-01

    A bird's-eye view of the development and problems of recent photovoltaic cells and systems and prospects for Si feedstock is presented. High-efficient low-cost PV modules, making use of novel efficient solar cells (based on c-Si or III-V materials), and low cost solar concentrators are in the focus of this book. Recent developments of organic photovoltaics, which is expected to overcome its difficulties and to enter the market soon, are also included.

  11. The Wide Band-Gap Semiconductors: A Brief Survey | Ottaviani ...

    African Journals Online (AJOL)

    ... the fields of power electronics, high-energy radiation detection and optoelectronics. ... Among these properties, a lower intrinsic carrier concentration than in silicon, a higher thermal conductivity, a larger saturated electron drift velocity and a ...

  12. A phononic crystal strip based on silicon for support tether applications in silicon-based MEMS resonators and effects of temperature and dopant on its band gap characteristics

    Directory of Open Access Journals (Sweden)

    Thi Dep Ha

    2016-04-01

    Full Text Available Phononic crystals (PnCs and n-type doped silicon technique have been widely employed in silicon-based MEMS resonators to obtain high quality factor (Q as well as temperature-induced frequency stability. For the PnCs, their band gaps play an important role in the acoustic wave propagation. Also, the temperature and dopant doped into silicon can cause the change in its material properties such as elastic constants, Young’s modulus. Therefore, in order to design the simultaneous high Q and frequency stability silicon-based MEMS resonators by two these techniques, a careful design should study effects of temperature and dopant on the band gap characteristics to examine the acoustic wave propagation in the PnC. Based on these, this paper presents (1 a proposed silicon-based PnC strip structure for support tether applications in low frequency silicon-based MEMS resonators, (2 influences of temperature and dopant on band gap characteristics of the PnC strips. The simulation results show that the largest band gap can achieve up to 33.56 at 57.59 MHz and increase 1280.13 % (also increase 131.89 % for ratio of the widest gaps compared with the counterpart without hole. The band gap properties of the PnC strips is insignificantly effected by temperature and electron doping concentration. Also, the quality factor of two designed length extensional mode MEMS resonators with proposed PnC strip based support tethers is up to 1084.59% and 43846.36% over the same resonators with PnC strip without hole and circled corners, respectively. This theoretical study uses the finite element analysis in COMSOL Multiphysics and MATLAB softwares as simulation tools. This findings provides a background in combination of PnC and dopant techniques for high performance silicon-based MEMS resonators as well as PnC-based MEMS devices.

  13. A phononic crystal strip based on silicon for support tether applications in silicon-based MEMS resonators and effects of temperature and dopant on its band gap characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Ha, Thi Dep, E-mail: hathidep@yahoo.com [School of Electronic Engineering, University of Electronic Science and Technology of China, Chengdu 611731 (China); Faculty of Electronic Technology, Industrial University of Ho Chi Minh City, Hochiminh City (Viet Nam); Bao, JingFu, E-mail: baojingfu@uestc.edu.cn [School of Electronic Engineering, University of Electronic Science and Technology of China, Chengdu 611731 (China)

    2016-04-15

    Phononic crystals (PnCs) and n-type doped silicon technique have been widely employed in silicon-based MEMS resonators to obtain high quality factor (Q) as well as temperature-induced frequency stability. For the PnCs, their band gaps play an important role in the acoustic wave propagation. Also, the temperature and dopant doped into silicon can cause the change in its material properties such as elastic constants, Young’s modulus. Therefore, in order to design the simultaneous high Q and frequency stability silicon-based MEMS resonators by two these techniques, a careful design should study effects of temperature and dopant on the band gap characteristics to examine the acoustic wave propagation in the PnC. Based on these, this paper presents (1) a proposed silicon-based PnC strip structure for support tether applications in low frequency silicon-based MEMS resonators, (2) influences of temperature and dopant on band gap characteristics of the PnC strips. The simulation results show that the largest band gap can achieve up to 33.56 at 57.59 MHz and increase 1280.13 % (also increase 131.89 % for ratio of the widest gaps) compared with the counterpart without hole. The band gap properties of the PnC strips is insignificantly effected by temperature and electron doping concentration. Also, the quality factor of two designed length extensional mode MEMS resonators with proposed PnC strip based support tethers is up to 1084.59% and 43846.36% over the same resonators with PnC strip without hole and circled corners, respectively. This theoretical study uses the finite element analysis in COMSOL Multiphysics and MATLAB softwares as simulation tools. This findings provides a background in combination of PnC and dopant techniques for high performance silicon-based MEMS resonators as well as PnC-based MEMS devices.

  14. Band Edge Dynamics and Multiexciton Generation in Narrow Band Gap HgTe Nanocrystals.

    Science.gov (United States)

    Livache, Clément; Goubet, Nicolas; Martinez, Bertille; Jagtap, Amardeep; Qu, Junling; Ithurria, Sandrine; Silly, Mathieu G; Dubertret, Benoit; Lhuillier, Emmanuel

    2018-04-11

    Mercury chalcogenide nanocrystals and especially HgTe appear as an interesting platform for the design of low cost mid-infrared (mid-IR) detectors. Nevertheless, their electronic structure and transport properties remain poorly understood, and some critical aspects such as the carrier relaxation dynamics at the band edge have been pushed under the rug. Some of the previous reports on dynamics are setup-limited, and all of them have been obtained using photon energy far above the band edge. These observations raise two main questions: (i) what are the carrier dynamics at the band edge and (ii) should we expect some additional effect (multiexciton generation (MEG)) as such narrow band gap materials are excited far above the band edge? To answer these questions, we developed a high-bandwidth setup that allows us to understand and compare the carrier dynamics resonantly pumped at the band edge in the mid-IR and far above the band edge. We demonstrate that fast (>50 MHz) photoresponse can be obtained even in the mid-IR and that MEG is occurring in HgTe nanocrystal arrays with a threshold around 3 times the band edge energy. Furthermore, the photoresponse can be effectively tuned in magnitude and sign using a phototransistor configuration.

  15. Band gap determination of thin praseodymium oxide layers on aluminium oxynitride films

    Energy Technology Data Exchange (ETDEWEB)

    Bergholz, Matthias; Schmeisser, Dieter [Brandenburgische Technische Universitaet, Cottbus (Germany). Angewandte Physik - Sensorik

    2008-07-01

    High-k dielectrics are important as never before in semiconductor industry. We investigate Pr{sub 2}O{sub 3} as one representative of this group on silicon and silicon-aluminium oxynitride substrates. In earlier work we observed the positive influence of this AlO{sub x}N{sub y} intermediate layer on the electrical properties of the Pr{sub 2}O{sub 3} layer. Now we present in-situ EELS, XPS and UPS measurements of gradually grown thin Pr{sub 2}O{sub 3} on AlO{sub x}N{sub y}. From these measurements we determine the band structure and find a very fast change of the band gap for the first few A, coupled with n-type behaviour for the Pr{sub 2}O{sub 3} film. These results are compared with RIXS measurements of a 5 nm Pr{sub 2}O{sub 3} on a 1 nm thick AlO{sub x}N{sub y} layer.

  16. Inverse opal photonic crystals with photonic band gaps in the visible and near-infrared

    Science.gov (United States)

    Jarvis, Brandon C.; Gilleland, Cody L.; Renfro, Tim; Gutierrez, Jose; Parikh, Kunjal; Glosser, R.; Landon, Preston B.

    2005-08-01

    Colloidal silica spheres with 200nm, 250nm, and 290nm diameters were self-assembled with single crystal crystallites 4-5mm wide and 10-15mm long. Larger spheres with diameters between 1000-2300nm were self-assembled with single crystal crystallites up to 1.5mm wide and 2mm long. The silica opals self-assembled vertically along the [100] direction of the face centered cubic lattice resulting in self-templated opals. Inverse opal photonic crystals with a partial band gap possessing a maximum in the near infrared at 3.8μm were constructed from opal templates composed of 2300nm diameter spheres with chalcogenide Ge33As12Se55 (AMTIR-1), a transparent glass in the near infrared with high refractive index. Inverse gold and gold/ polypropylene composite photonic crystals were fabricated from synthetic opal templates composed of 200-290nm silica spheres. The reflectance spectra and electrical conductance of the resulting structures is presented. Gold was infiltrated into opal templates as gold chloride and heat converted to metallic gold. Opals partially infiltrated with gold were co-infiltrated with polypropylene plastic for mechanical support prior to removal of the silica template with hydrofluoric acid.

  17. Phononic band gap design in honeycomb lattice with combinations of auxetic and conventional core

    International Nuclear Information System (INIS)

    Mukherjee, Sushovan; Gopalakrishnan, S; Fabrizio Scarpa

    2016-01-01

    We present a novel design of a honeycomb lattice geometry that uses a seamless combination of conventional and auxetic cores, i.e. elements showing positive and negative Poisson’s ratio. The design is aimed at tuning and improving the band structure of periodic cellular structures. The proposed cellular configurations show a significantly wide band gap at much lower frequencies compared to their pure counterparts, while still retaining their major dynamic features. Different topologies involving both auxetic inclusions in a conventional lattice and conversely hexagonal cellular inclusions in auxetic butterfly lattices are presented. For all these cases the impact of the varying degree of auxeticity on the band structure is evaluated. The proposed cellular designs may offer significant advantages in tuning high-frequency bandgap behaviour, which is relevant to phononics applications. The configurations shown in this paper may be made iso-volumetric and iso-weight to a given regular hexagonal topology, making possible to adapt the hybrid lattices to existing sandwich structures with fixed dimensions and weights. This work also features a comparative study of the wave speeds corresponding to different configurations vis-a vis those of a regular honeycomb to highlight the superior behaviour of the combined hybrid lattice. (paper)

  18. Band Gap Distortion in Semiconductors Strongly Driven by Intense Mid-Infrared Laser Fields

    Science.gov (United States)

    Kono, J.; Chin, A. H.

    2000-03-01

    Crystalline solids non-resonantly driven by intense time-periodic electric fields are predicted to exhibit unusual band-gap distortion.(e.g., Y. Yacoby, Phys. Rev. 169, 610 (1968); L.C.M. Miranda, Solid State Commun. 45, 783 (1983); J.Z. Kaminski, Acta Physica Polonica A 83, 495(1993).) Such non-perturbative effects have not been observed to date because of the unavoidable sample damage due to the very high intensity required using conventional lasers ( 1 eV photon energy). Here, we report the first clear evidence of laser-induced bandgap shrinkage in semiconductors under intense mid-infrared (MIR) laser fields. The use of long-wavelength light reduces the required intensity and prohibits strong interband absorption, thereby avoiding the damage problem. The significant sub-bandgap absorption persists only during the existence of the MIR laser pulse, indicating the virtual nature of the effect. We show that this particular example of non-perturbative behavior, known as the dynamical Franz-Keldysh effect, occurs when the effective ponderomotive potential energy is comparable to the photon energy of the applied field. This work was supported by ONR, NSF, JST and NEDO.

  19. Band gap engineering of tandem structured CIGS compound absorption layer fabricated by sputtering and selenization

    Energy Technology Data Exchange (ETDEWEB)

    Kang, San; Sharma, Rahul; Sim, Jae-Kwan [Semiconductor Materials Processing Laboratory, School of Advanced Materials Engineering, College of Engineering, Research Center for Advanced Materials Development (RCAMD), Chonbuk National University, Deokjin-dong 664-14, Jeonju 561-756 (Korea, Republic of); Lee, Cheul-Ro, E-mail: crlee7@jbnu.ac.kr [Semiconductor Materials Processing Laboratory, School of Advanced Materials Engineering, College of Engineering, Research Center for Advanced Materials Development (RCAMD), Chonbuk National University, Deokjin-dong 664-14, Jeonju 561-756 (Korea, Republic of)

    2013-06-25

    Highlights: ► Systematic band gap engineering to fabricate tandem Cu(In,Ga)Se{sub 2} absorption layers. ► XRD shows prominent (1 1 2) reflection shift for attributed CIS, CIGS, and CGS phases. ► Optical transmittance and reflectance spectrum are improved towards infrared region. ► The Cu/In + Ga and Ga/In + Ga effect is matched with highest efficient solar cell. ► Tandem CIS/CIGS/CGS layer, the band gap is increased from 1.15 to 2.06 eV. -- Abstract: Band gap engineering was executed to fabricate a multi-junction stacked i.e. tandem Cu(In,Ga)Se{sub 2} (CIGS) absorption layer. The CIGS absorption layers consist of multi-junction stacked CIS/CIGS/CGS thin films from bottom to top with increasing band gap. Tandem CIGS layers were fabricated by using three precursor of CuIn, In/CuGa/In, and CuGa onto the Mo coated soda-lime glass (SLG) by the sequential sputtering of CuIn, CuGa, and In targets. The CIG precursors were converted into CIGS absorption thin film by selenization process. From the X-ray diffraction (XRD) pattern of CIS/CIGS/CGS tandem layer, with the prominent peak shift for (1 1 2) reflections was attributed to the individual CIS, CIGS, and CGS phases at 26.76°, 27.15°, and 27.65° diffraction angles, respectively. The morphologies and atomic (at%) composition uniformity onto the surface and along the depth were extensively analyzed with field effect scanning electron microscope (FESEM) attached energy dispersive spectroscopy (EDS) and secondary ion mass spectroscopy (SIMS). The optical properties such as transmittance, reflectance and absorbance were found to improve in the infrared region for all the tandem CIGS layers. Near the fundamental absorption edge, the absorption coefficient was approached to 10{sup 5} cm{sup −1} for CIS/CIGS/CGS tandem layer. The straight-line behavior indicates that the films have a direct band gap. The band gap was found to increase from 1.15 to 1.74 eV with the Ga-grading along the depth of individual CIS, CIGS

  20. Band gap engineering of tandem structured CIGS compound absorption layer fabricated by sputtering and selenization

    International Nuclear Information System (INIS)

    Kang, San; Sharma, Rahul; Sim, Jae-Kwan; Lee, Cheul-Ro

    2013-01-01

    Highlights: ► Systematic band gap engineering to fabricate tandem Cu(In,Ga)Se 2 absorption layers. ► XRD shows prominent (1 1 2) reflection shift for attributed CIS, CIGS, and CGS phases. ► Optical transmittance and reflectance spectrum are improved towards infrared region. ► The Cu/In + Ga and Ga/In + Ga effect is matched with highest efficient solar cell. ► Tandem CIS/CIGS/CGS layer, the band gap is increased from 1.15 to 2.06 eV. -- Abstract: Band gap engineering was executed to fabricate a multi-junction stacked i.e. tandem Cu(In,Ga)Se 2 (CIGS) absorption layer. The CIGS absorption layers consist of multi-junction stacked CIS/CIGS/CGS thin films from bottom to top with increasing band gap. Tandem CIGS layers were fabricated by using three precursor of CuIn, In/CuGa/In, and CuGa onto the Mo coated soda-lime glass (SLG) by the sequential sputtering of CuIn, CuGa, and In targets. The CIG precursors were converted into CIGS absorption thin film by selenization process. From the X-ray diffraction (XRD) pattern of CIS/CIGS/CGS tandem layer, with the prominent peak shift for (1 1 2) reflections was attributed to the individual CIS, CIGS, and CGS phases at 26.76°, 27.15°, and 27.65° diffraction angles, respectively. The morphologies and atomic (at%) composition uniformity onto the surface and along the depth were extensively analyzed with field effect scanning electron microscope (FESEM) attached energy dispersive spectroscopy (EDS) and secondary ion mass spectroscopy (SIMS). The optical properties such as transmittance, reflectance and absorbance were found to improve in the infrared region for all the tandem CIGS layers. Near the fundamental absorption edge, the absorption coefficient was approached to 10 5 cm −1 for CIS/CIGS/CGS tandem layer. The straight-line behavior indicates that the films have a direct band gap. The band gap was found to increase from 1.15 to 1.74 eV with the Ga-grading along the depth of individual CIS, CIGS, and CGS thin films

  1. Band gap of two-dimensional fiber-air photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shu, E-mail: yangshu5678@163.com; Li, Masha

    2016-04-15

    A two-dimensional photonic crystal (PC) composed of textile fiber and air is initially discussed in this paper. Textile materials are so called soft materials, which are different from the previous PCs composed of rigid materials. The plain wave expansion method is used to calculate band structure of different PCs by altering component properties or structural parameters. Results show that the dielectric constant of textile fibers, fiber filling ratio and lattice arrangement are effective factors which influence PCs' band gap. Yet lattice constant and fiber diameter make inconspicuous influence on the band gap feature.

  2. Bose-Einstein condensates in optical lattices: Band-gap structure and solitons

    International Nuclear Information System (INIS)

    Louis, Pearl J. Y.; Kivshar, Yuri S.; Ostrovskaya, Elena A.; Savage, Craig M.

    2003-01-01

    We analyze the existence and stability of spatially extended (Bloch-type) and localized states of a Bose-Einstein condensate loaded into an optical lattice. In the framework of the Gross-Pitaevskii equation with a periodic potential, we study the band-gap structure of the matter-wave spectrum in both the linear and nonlinear regimes. We demonstrate the existence of families of spatially localized matter-wave gap solitons, and analyze their stability in different band gaps, for both repulsive and attractive atomic interactions

  3. Hypersonic modulation of light in three-dimensional photonic and phononic band-gap materials.

    Science.gov (United States)

    Akimov, A V; Tanaka, Y; Pevtsov, A B; Kaplan, S F; Golubev, V G; Tamura, S; Yakovlev, D R; Bayer, M

    2008-07-18

    The elastic coupling between the a-SiO2 spheres composing opal films brings forth three-dimensional periodic structures which besides a photonic stop band are predicted to also exhibit complete phononic band gaps. The influence of elastic crystal vibrations on the photonic band structure has been studied by injection of coherent hypersonic wave packets generated in a metal transducer by subpicosecond laser pulses. These studies show that light with energies close to the photonic band gap can be efficiently modulated by hypersonic waves.

  4. Band gap narrowing and fluorescence properties of nickel doped SnO2 nanoparticles

    International Nuclear Information System (INIS)

    Ahmed, Arham S.; Shafeeq, M. Muhamed; Singla, M.L.; Tabassum, Sartaj; Naqvi, Alim H.; Azam, Ameer

    2011-01-01

    Nickel-doped tin oxide nanoparticles (sub-5 nm size) with intense fluorescence emission behavior have been synthesized by sol-gel route. The structural and compositional analysis has been carried out by using XRD, TEM, FESEM and EDAX. The optical absorbance spectra indicate a band gap narrowing effect and it was found to increase with the increase in nickel concentration. The band gap narrowing at low dopant concentration ( 2 -SnO 2-x alloying effect and for higher doping it may be due to the formation of defect sub-bands below the conduction band.

  5. Band gap narrowing and fluorescence properties of nickel doped SnO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Arham S; Shafeeq, M Muhamed [Centre of Excellence in Materials Science (Nanomaterials), Department of Applied Physics, Z. H. College of Engineering and Technology, Aligarh Muslim University, Aligarh-202002 (India); Singla, M L [Central Scientific Instruments Organization (CSIO), Council of Scientific and Industrial Research (CSIR), Materials Research and Bio-Nanotechnology Division, Sector - 30/C, Chandigarh-160030 (India); Tabassum, Sartaj [Department of Chemistry, Aligarh Muslim University, Aligarh-202002 (India); Naqvi, Alim H [Centre of Excellence in Materials Science (Nanomaterials), Department of Applied Physics, Z. H. College of Engineering and Technology, Aligarh Muslim University, Aligarh-202002 (India); Azam, Ameer [Centre of Excellence in Materials Science (Nanomaterials), Department of Applied Physics, Z. H. College of Engineering and Technology, Aligarh Muslim University, Aligarh-202002 (India)

    2011-01-15

    Nickel-doped tin oxide nanoparticles (sub-5 nm size) with intense fluorescence emission behavior have been synthesized by sol-gel route. The structural and compositional analysis has been carried out by using XRD, TEM, FESEM and EDAX. The optical absorbance spectra indicate a band gap narrowing effect and it was found to increase with the increase in nickel concentration. The band gap narrowing at low dopant concentration (<5%) can be assigned to SnO{sub 2}-SnO{sub 2-x} alloying effect and for higher doping it may be due to the formation of defect sub-bands below the conduction band.

  6. Research on the Band Gap Characteristics of Two-Dimensional Phononic Crystals Microcavity with Local Resonant Structure

    Directory of Open Access Journals (Sweden)

    Mao Liu

    2015-01-01

    Full Text Available A new two-dimensional locally resonant phononic crystal with microcavity structure is proposed. The acoustic wave band gap characteristics of this new structure are studied using finite element method. At the same time, the corresponding displacement eigenmodes of the band edges of the lowest band gap and the transmission spectrum are calculated. The results proved that phononic crystals with microcavity structure exhibited complete band gaps in low-frequency range. The eigenfrequency of the lower edge of the first gap is lower than no microcavity structure. However, for no microcavity structure type of quadrilateral phononic crystal plate, the second band gap disappeared and the frequency range of the first band gap is relatively narrow. The main reason for appearing low-frequency band gaps is that the proposed phononic crystal introduced the local resonant microcavity structure. This study provides a good support for engineering application such as low-frequency vibration attenuation and noise control.

  7. Structure and optical band-gap energies of Ba0.5Sr0.5TiO3 thin films fabricated by RF magnetron plasma sputtering

    International Nuclear Information System (INIS)

    Xu, Zhimou; Suzuki, Masato; Yokoyama, Shin

    2005-01-01

    The structure and optical band-gap energies of Ba 0.5 Sr 0.5 TiO 3 (BST0.5) thin films prepared on SiO 2 /Si and fused quartz substrates by RF magnetron plasma sputtering were studied in terms of deposition temperature and film thickness. Highly (100)-oriented BST0.5 thin films were successfully sputtered on a Si substrate with an approximately 1.0-μm-thick SiO 2 layer at a deposition temperature of above 450degC. The optical transmittance of BST0.5 thin films weakly depended on the magnitude of X-ray diffraction (XRD) peak intensity. This is very helpful for monolithic integration of BST0.5 films for electrooptical functions directly onto a SiO 2 /Si substrate. The band-gap energies showed a strong dependence on the deposition temperature and film thickness. It was mainly related to the quantum size effect and the influence of the crystallinity of thin films, such as grain boundaries, grain size, oriented growth, and the existence of an amorphous phase. The band-gap energy values, which were much larger than those of single crystals, decreased with the increase in the deposition temperature and the thickness of BST0.5 thin films. The band-gap energy of 311-nm-thick amorphous BST0.5 thin film was about 4.45 eV and that of (100)-oriented BST0.5 thin film with a thickness of 447 nm was about 3.89 eV. It is believed that the dependence of the band-gap energies of the thin films on the crystallinity for various values of deposition temperature and film thickness means that there could be application in integrated optical devices. (author)

  8. Thermally controlled mid-IR band-gap engineering in all-glass chalcogenide microstructured fibers: a numerical study

    DEFF Research Database (Denmark)

    Barh, Ajanta; Varshney, Ravi K.; Pal, Bishnu P.

    2017-01-01

    Presence of photonic band-gap (PBG) in an all-glass low refractive index (RI) contrast chalcogenide (Ch) microstructured optical fibers (MOFs) is investigated numerically. The effect of external temperature on the position of band-gap is explored to realize potential fiber-based wavelength filters....... Then the temperature sensitivity of band-gaps is investigated to design fiber-based mid-IR wavelength filters/sensors....

  9. Advanced electron microscopy of wide band-gap semiconductor materials

    International Nuclear Information System (INIS)

    Fay, M.W.

    2000-10-01

    The microstructure of GaN layers grown by metal organic vapour phase epitaxy on (0001) sapphire substrates using a novel precursor for deposition of AlN buffer layers has been investigated and compared to layers grown using low temperature GaN buffer layers and state-of-the-art material. It has been shown that the quality of layers grown using the novel precursor is comparable to the state-of-the-art material. TEM analysis has been performed of multiple quantum wells of InGaN grown within GaN epitaxial layers by metal organic vapour phase epitaxy. Elementally sensitive TEM techniques have been used to determine the spatial distribution of In and Ga within these structures. Fluctuations in In sensitive images are observed on the nm-scale. Clear evidence of segregation of In during layer growth has been seen. Models of the In segregation are in good agreement with experimental results. Elementally sensitive techniques have been used to investigate the elemental distributions in TiAl and NiAu contacts to GaN. Annealing of TiAl contacts has been seen to result in the formation of a thin interfacial Ti rich phase, and of N depletion at the surface of the GaN layer to the depth of tens of nm. Annealing NiAu contacts at 700 deg. C was seen to result in the formation of Ga-rich interfacial phases, of both crystalline and amorphous structure. ZnS and ZnCdS layers grown on (001) GaP supplied by the University of Hull have been investigated. ZnS layers were found to contain a high density of inclined stacking faults throughout the layer, originating from the interface with the substrate. Energy sensitive techniques have been used to investigate ZnCdS quantum well structures. The use of a ZnCdS superlattice structure around a ZnCdS quantum well to approximate a reduced barrier was seen to result in less thickness variations than when no barrier was used. (author)

  10. Band gap tuning of ZnO nanoparticles via Mg doping by femtosecond laser ablation in liquid environment

    International Nuclear Information System (INIS)

    Chelnokov, E.; Rivoal, M.; Colignon, Y.; Gachet, D.; Bekere, L.; Thibaudau, F.; Giorgio, S.; Khodorkovsky, V.; Marine, W.

    2012-01-01

    Highlights: ► Femtosecond laser ablation synthesis of Mg doped ZnO nanoparticles. ► Electronic properties of ZnO are modified by Mg. ► Band gap and exciton energy shifts to the blue. ► The exciton energy shift is saturated at Mg content of about 20%. ► Phase separation at Mg content is at more than 25%. ► Mechanism of exciton pinning – recombination via new surface states. - Abstract: We use multiphoton IR femtosecond laser ablation to induce non-thermal non-equilibrium conditions of the nanoparticle growth in liquids. Modifications of the electronic properties of ZnO NP were achieved by Mg ion doping of targets prepared from mixtures of Zn and Mg acetylacetonates. The nanoparticle sizes were 3–20 nm depending on the ablation conditions. X-ray fluorescence indicates that stoichiometric ablation and incorporation of Mg in nanocrystalline ZnO occurs. HRTEM observations show that nanoparticles retain their wurtzite structure, while at high Mg concentrations we detect the MgO rich domains. Exciton emissions exhibit relatively narrow bands with progressive and controlled blue shifts up to 184 meV. The exciton energy correlates to band edge absorption indicating strong modification of the NP band gaps. Stabilisation of the exciton blue shift is observed at high Mg concentration. It is accompanied by the formation of structure defects and ZnO/MgO phase separation within the nanoparticles.

  11. A novel benzodipyrrolidone-based low band gap polymer for organic solar cells

    DEFF Research Database (Denmark)

    Yue, Wei; Huang, Xiaodong; Yuan, Jianyu

    2013-01-01

    A low band gap polymer PBDPDP-DTP, with alternating benzodipyrrolidone (BDP) unit and dithienopyrrole, was synthesized and characterized. A PCE of 2.60%and a Voc of up to 0.74 V were realized in PSCs, which demonstrated the strong potential of BDP as the electron deficient unit in the design of d...... of donor–acceptor conjugated polymers for PSCs....

  12. Tunable Band Gap and Conductivity Type of ZnSe/Si Core-Shell Nanowire Heterostructures

    Directory of Open Access Journals (Sweden)

    Yijie Zeng

    2014-10-01

    Full Text Available The electronic properties of zincblende ZnSe/Si core-shell nanowires (NWs with a diameter of 1.1–2.8 nm are calculated by means of the first principle calculation. Band gaps of both ZnSe-core/Si-shell and Si-core/ZnSe-shell NWs are much smaller than those of pure ZnSe or Si NWs. Band alignment analysis reveals that the small band gaps of ZnSe/Si core-shell NWs are caused by the interface state. Fixing the ZnSe core size and enlarging the Si shell would turn the NWs from intrinsic to p-type, then to metallic. However, Fixing the Si core and enlarging the ZnSe shell would not change the band gap significantly. The partial charge distribution diagram shows that the conduction band maximum (CBM is confined in Si, while the valence band maximum (VBM is mainly distributed around the interface. Our findings also show that the band gap and conductivity type of ZnSe/Si core-shell NWs can be tuned by the concentration and diameter of the core-shell material, respectively.

  13. Strongly reduced band gap in a correlated insulator in close proximity to a metal

    NARCIS (Netherlands)

    Hesper, R.; Tjeng, L.H; Sawatzky, G.A

    1997-01-01

    Using a combination of photoelectron and inverse photoelectron spectroscopy, we show that the band gap in a monolayer of C-60 on a Ag surface is strongly reduced from the solid C-60 surface value. We argue that this is a result of the reduction of the on-site molecular Coulomb interaction due to the

  14. Controlling emission and propagation of light with photonic band gap crystals

    NARCIS (Netherlands)

    Yeganegi Dastgerdi, Elahe

    2014-01-01

    In certain three-dimensional crystals, a frequency range exist for all polarizations for which light is not allowed to propagate in any direction, called the 3D photonic band gap: a frequency range where the density of vacuum fluctuations vanishes in an ideal infinitely large and perfect system. The

  15. Ultrafast optical switching of three-dimensional Si inverse opal photonic band gap crystals

    NARCIS (Netherlands)

    Euser, T.G.; Wei, Hong; Kalkman, Jeroen; Jun, Yoonho; Polman, Albert; Norris, David J.; Vos, Willem L.

    2007-01-01

    We present ultrafast optical switching experiments on three-dimensional photonic band gap crystals. Switching the Si inverse opal is achieved by optically exciting free carriers by a two-photon process. We probe reflectivity in the frequency range of second order Bragg diffraction where the photonic

  16. Lamb wave band gaps in a double-sided phononic plate

    Science.gov (United States)

    Wang, Peng; Chen, Tian-Ning; Yu, Kun-Peng; Wang, Xiao-Peng

    2013-02-01

    In this paper, we report on the theoretical investigation of the propagation characteristics of Lamb wave in a phononic crystal structure constituted by a square array of cylindrical stubs deposited on both sides of a thin homogeneous plate. The dispersion relations, the power transmission spectra, and the displacement fields of the eigenmodes are studied by using the finite-element method. We investigate the evolution of band gaps in the double-sided phononic plate with stub height on both sides arranged from an asymmetrical distribution to a symmetrical distribution gradually. Numerical results show that as the double stubs in a unit cell arranged more symmetrically on both sides, band width shifts, new band gaps appear, and the bands become flat due to localized resonant modes which couple with plate modes. Specially, more band gaps and flat bands can be found in the symmetrical system as a result of local resonances of the stubs which interact in a stronger way with the plate modes. Moreover, the symmetrical double-sided plate exhibits lower and smaller band gap than that of the asymmetrical plate. These propagation properties of elastic or acoustic waves in the double-sided plate can potentially be utilized to generate filters, slow the group velocity, low-frequency sound insulation, and design acoustic sensors.

  17. Modulation of band gap by an applied electric field in BN-based heterostructures

    Science.gov (United States)

    Luo, M.; Xu, Y. E.; Zhang, Q. X.

    2018-05-01

    First-principles density functional theory (DFT) calculations are performed on the structural and electronic properties of the SiC/BN van der Waals (vdW) heterostructures under an external electric field (E-field). Our results reveal that the SiC/BN vdW heterostructure has a direct band gap of 2.41 eV in the raw. The results also imply that electrons are likely to transfer from BN to SiC monolayer due to the deeper potential of BN monolayer. It is also observed that, by applying an E-field, ranging from -0.50 to +0.65 V/Å, the band gap decreases from 2.41 eV to zero, which presents a parabola-like relationship around 0.0 V/Å. Through partial density of states (PDOS) plots, it is revealed that, p orbital of Si, C, B, and N atoms are responsible for the significant variations of band gap. These obtained results predict that, the electric field tunable band gap of the SiC/BN vdW heterostructures carries potential applications for nanoelectronics and spintronic device applications.

  18. Anomalous composition dependence of the band gap pressure coefficients in In-containing nitride semiconductors

    DEFF Research Database (Denmark)

    Gorczyca, I.; Kamińska, A.; Staszczak, G.

    2010-01-01

    The pressure-induced changes in the electronic band structures of In-containing nitride alloys, InxGa1-xN and InxAl1-xN are examined experimentally as well as by ab initio calculations. It is found that the band gap pressure coefficients, dEg/dp, exhibit very large bowing with x, and calculations...

  19. Tunable band gaps in graphene/GaN van der Waals heterostructures

    International Nuclear Information System (INIS)

    Huang, Le; Kang, Jun; Li, Yan; Li, Jingbo; Yue, Qu

    2014-01-01

    Van der Waals (vdW) heterostructures consisting of graphene and other two-dimensional materials provide good opportunities for achieving desired electronic and optoelectronic properties. Here, we focus on vdW heterostructures composed of graphene and gallium nitride (GaN). Using density functional theory, we perform a systematic study on the structural and electronic properties of heterostructures consisting of graphene and GaN. Small band gaps are opened up at or near the Γ point of the Brillouin zone for all of the heterostructures. We also investigate the effect of the stacking sequence and electric fields on their electronic properties. Our results show that the tunability of the band gap is sensitive to the stacking sequence in bilayer-graphene-based heterostructures. In particular, in the case of graphene/graphene/GaN, a band gap of up to 334 meV is obtained under a perpendicular electric field. The band gap of bilayer graphene between GaN sheets (GaN/graphene/graphene/GaN) shows similar tunability, and increases to 217 meV with the perpendicular electric field reaching 0.8 V Å  − 1 . (paper)

  20. On the optical band gap in certain ternary phosphate and TeO2 based glasses

    Czech Academy of Sciences Publication Activity Database

    Tichá, H.; Tichý, Ladislav

    2011-01-01

    Roč. 5, č. 12 (2011), s. 1277-1281 ISSN 1842-6573 Institutional research plan: CEZ:AV0Z40500505 Keywords : optical band gap * heavy metal oxide glasses Subject RIV: CA - Inorganic Chemistry Impact factor: 0.304, year: 2011 http://oam-rc.inoe.ro/index.php?option=magazine&op=view&idu=1737&catid=69

  1. Anisotropic Effective Mass, Optical Property, and Enhanced Band Gap in BN/Phosphorene/BN Heterostructures.

    Science.gov (United States)

    Hu, Tao; Hong, Jisang

    2015-10-28

    Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, the phosphorus has a trouble of degradation due to oxidation. Hereby, we propose that the electrical and optical anisotropic properties can be preserved by encapsulating into hexagonal boron nitride (h-BN). We found that the h-BN contributed to enhancing the band gap of the phosphorene layer. Comparing the band gap of the pristine phosphorene layer, the band gap of the phosphorene/BN(1ML) system was enhanced by 0.15 eV. It was further enhanced by 0.31 eV in the BN(1ML)/phosphorene/BN(1ML) trilayer structure. However, the band gap was not further enhanced when we increased the thickness of the h-BN layers even up to 4 MLs. Interestingly, the anisotropic effective mass and optical property were still preserved in BN/phosphorene/BN heterostructures. Overall, we predict that the capping of phosphorene by the h-BN layers can be an excellent solution to protect the intrinsic properties of the phosphorene.

  2. H-shaped oligothiophenes with low band gaps and amphoteric redox properties

    KAUST Repository

    Luo, Jing

    2010-12-17

    H-shaped bridged oligothiophenes HT-1 and HT-2 were synthesized by two different approaches. Different from normal oligothiophenes, HT-1 and HT-2 showed low band gaps and amphoteric redox behaviors due to intramolecular charge transfer, which is further supported by time-dependent DFT calculations. © 2010 American Chemical Society.

  3. Developments in the chemistry and band gap engineering of donor-acceptor substituted conjugated polymers

    NARCIS (Netherlands)

    Mullekom, van H.A.M.; Vekemans, J.A.J.M.; Havinga, E.E.; Meijer, E.W.

    2001-01-01

    This paper reviews the tools to manipulate and minimize the band gap of conjugated (co)polymers. The effects of minimization of the bond length alternation and of the incorporation of donor-K-acceptor units are discussed in particular. A systematic study of a series of alternating donor-acceptor

  4. A model for the direct-to-indirect band-gap transition in monolayer ...

    Indian Academy of Sciences (India)

    Abstract. A monolayer of MoSe2 is found to be a direct band-gap semiconductor. We show, ... In order to determine appropriate basis for the tight-binding model, the Mo and Se ..... RD thanks the Council of Scientific and Industrial Research.

  5. A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.

    Science.gov (United States)

    Linderälv, Christopher; Lindman, Anders; Erhart, Paul

    2018-01-04

    Wide band gap oxides are versatile materials with numerous applications in research and technology. Many properties of these materials are intimately related to defects, with the most important defect being the oxygen vacancy. Here, using electronic structure calculations, we show that the charge transition level (CTL) and eigenstates associated with oxygen vacancies, which to a large extent determine their electronic properties, are confined to a rather narrow energy range, even while band gap and the electronic structure of the conduction band vary substantially. Vacancies are classified according to their character (deep versus shallow), which shows that the alignment of electronic eigenenergies and CTL can be understood in terms of the transition between cavity-like localized levels in the large band gap limit and strong coupling between conduction band and vacancy states for small to medium band gaps. We consider both conventional and hybrid functionals and demonstrate that the former yields results in very good agreement with the latter provided that band edge alignment is taken into account.

  6. Charge Separation and Recombination in Small Band Gap Oligomer-Fullerene Triads

    NARCIS (Netherlands)

    Karsten, Bram P.; Bouwer, Ricardo K. M.; Hummelen, Jan C.; Williams, Rene M.; Janssen, Rene A. J.

    2010-01-01

    Synthesis and photophysics of a series of thiophene-thienopyrazine small band gap oligomers end-capped at both ends with C(60) are presented In these triads a photoinduced electron transfer reaction occurs between the oligomer as a donor and the fullerene as an acceptor Femtosecond photoinduced

  7. Cation substitution induced blue-shift of optical band gap in ...

    Indian Academy of Sciences (India)

    2017-06-09

    Jun 9, 2017 ... direct optical band gap of energy 3.37 eV and a large exci- ton binding ... this method with other earth–alkaline elements like Be and. Ca and these will .... where Cij are the elastic stiffness constants whose values are given by ...

  8. Photovoltaics

    International Nuclear Information System (INIS)

    2006-06-01

    This road-map proposes by the Group Total aims to inform the public on the photovoltaics. It presents the principles and the applications, the issues and the current technology, the challenges and the Group Total commitment in the domain. (A.L.B.)

  9. Band-gap analysis of a novel lattice with a hierarchical periodicity using the spectral element method

    Science.gov (United States)

    Wu, Zhijing; Li, Fengming; Zhang, Chuanzeng

    2018-05-01

    Inspired by the hierarchical structures of butterfly wing surfaces, a new kind of lattice structures with a two-order hierarchical periodicity is proposed and designed, and the band-gap properties are investigated by the spectral element method (SEM). The equations of motion of the whole structure are established considering the macro and micro periodicities of the system. The efficiency of the SEM is exploited in the modeling process and validated by comparing the results with that of the finite element method (FEM). Based on the highly accurate results in the frequency domain, the dynamic behaviors of the proposed two-order hierarchical structures are analyzed. An original and interesting finding is the existence of the distinct macro and micro stop-bands in the given frequency domain. The mechanisms for these two types of band-gaps are also explored. Finally, the relations between the hierarchical periodicities and the different types of the stop-bands are investigated by analyzing the parametrical influences.

  10. The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

    International Nuclear Information System (INIS)

    Kevin Jerome Sutherland

    2001-01-01

    Photonic band gap (PBG) crystals are periodic dielectric structures that manipulate electromagnetic radiation in a manner similar to semiconductor devices manipulating electrons. Whereas a semiconductor material exhibits an electronic band gap in which electrons cannot exist, similarly, a photonic crystal containing a photonic band gap does not allow the propagation of specific frequencies of electromagnetic radiation. This phenomenon results from the destructive Bragg diffraction interference that a wave propagating at a specific frequency will experience because of the periodic change in dielectric permitivity. This gives rise to a variety of optical applications for improving the efficiency and effectiveness of opto-electronic devices. These applications are reviewed later. Several methods are currently used to fabricate photonic crystals, which are also discussed in detail. This research involves a layer-by-layer micro-transfer molding ((mu)TM) and stacking method to create three-dimensional FCC structures of epoxy or titania. The structures, once reduced significantly in size can be infiltrated with an organic gain media and stacked on a semiconductor to improve the efficiency of an electronically pumped light-emitting diode. Photonic band gap structures have been proven to effectively create a band gap for certain frequencies of electro-magnetic radiation in the microwave and near-infrared ranges. The objective of this research project was originally two-fold: to fabricate a three dimensional (3-D) structure of a size scaled to prohibit electromagnetic propagation within the visible wavelength range, and then to characterize that structure using laser dye emission spectra. As a master mold has not yet been developed for the micro transfer molding technique in the visible range, the research was limited to scaling down the length scale as much as possible with the current available technology and characterizing these structures with other methods

  11. The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

    Energy Technology Data Exchange (ETDEWEB)

    Sutherland, Kevin Jerome [Iowa State Univ., Ames, IA (United States)

    2001-01-01

    Photonic band gap (PBG) crystals are periodic dielectric structures that manipulate electromagnetic radiation in a manner similar to semiconductor devices manipulating electrons. Whereas a semiconductor material exhibits an electronic band gap in which electrons cannot exist, similarly, a photonic crystal containing a photonic band gap does not allow the propagation of specific frequencies of electromagnetic radiation. This phenomenon results from the destructive Bragg diffraction interference that a wave propagating at a specific frequency will experience because of the periodic change in dielectric permitivity. This gives rise to a variety of optical applications for improving the efficiency and effectiveness of opto-electronic devices. These applications are reviewed later. Several methods are currently used to fabricate photonic crystals, which are also discussed in detail. This research involves a layer-by-layer micro-transfer molding ({mu}TM) and stacking method to create three-dimensional FCC structures of epoxy or titania. The structures, once reduced significantly in size can be infiltrated with an organic gain media and stacked on a semiconductor to improve the efficiency of an electronically pumped light-emitting diode. Photonic band gap structures have been proven to effectively create a band gap for certain frequencies of electro-magnetic radiation in the microwave and near-infrared ranges. The objective of this research project was originally two-fold: to fabricate a three dimensional (3-D) structure of a size scaled to prohibit electromagnetic propagation within the visible wavelength range, and then to characterize that structure using laser dye emission spectra. As a master mold has not yet been developed for the micro transfer molding technique in the visible range, the research was limited to scaling down the length scale as much as possible with the current available technology and characterizing these structures with other methods.

  12. Multijunction Photovoltaic Technologies for High-Performance Concentrators: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    McConnell, R.; Symko-Davies, M.

    2006-05-01

    Multijunction solar cells provide high-performance technology pathways leading to potentially low-cost electricity generated from concentrated sunlight. The National Center for Photovoltaics at the National Renewable Energy Laboratory has funded different III-V multijunction solar cell technologies and various solar concentration approaches. Within this group of projects, III-V solar cell efficiencies of 41% are close at hand and will likely be reported in these conference proceedings. Companies with well-developed solar concentrator structures foresee installed system costs of $3/watt--half of today's costs--within the next 2 to 5 years as these high-efficiency photovoltaic technologies are incorporated into their concentrator photovoltaic systems. These technology improvements are timely as new large-scale multi-megawatt markets, appropriate for high performance PV concentrators, open around the world.

  13. High-concentration planar microtracking photovoltaic system exceeding 30% efficiency

    Science.gov (United States)

    Price, Jared S.; Grede, Alex J.; Wang, Baomin; Lipski, Michael V.; Fisher, Brent; Lee, Kyu-Tae; He, Junwen; Brulo, Gregory S.; Ma, Xiaokun; Burroughs, Scott; Rahn, Christopher D.; Nuzzo, Ralph G.; Rogers, John A.; Giebink, Noel C.

    2017-08-01

    Prospects for concentrating photovoltaic (CPV) power are growing as the market increasingly values high power conversion efficiency to leverage now-dominant balance of system and soft costs. This trend is particularly acute for rooftop photovoltaic power, where delivering the high efficiency of traditional CPV in the form factor of a standard rooftop photovoltaic panel could be transformative. Here, we demonstrate a fully automated planar microtracking CPV system 660× concentration ratio over a 140∘ full field of view. In outdoor testing over the course of two sunny days, the system operates automatically from sunrise to sunset, outperforming a 17%-efficient commercial silicon solar cell by generating >50% more energy per unit area per day in a direct head-to-head competition. These results support the technical feasibility of planar microtracking CPV to deliver a step change in the efficiency of rooftop solar panels at a commercially relevant concentration ratio.

  14. Transport in bilayer and trilayer graphene: band gap engineering and band structure tuning

    Science.gov (United States)

    Zhu, Jun

    2014-03-01

    Controlling the stacking order of atomically thin 2D materials offers a powerful tool to control their properties. Linearly dispersed bands become hyperbolic in Bernal (AB) stacked bilayer graphene (BLG). Both Bernal (ABA) and rhombohedral (ABC) stacking occur in trilayer graphene (TLG), producing distinct band structures and electronic properties. A symmetry-breaking electric field perpendicular to the sample plane can further modify the band structures of BLG and TLG. In this talk, I will describe our experimental effort in these directions using dual-gated devices. Using thin HfO2 film deposited by ALD as gate dielectric, we are able to apply large displacement fields D > 6 V/nm and observe the opening and saturation of the field-induced band gap Eg in bilayer and ABC-stacked trilayer graphene, where the conduction in the mid gap changes by more than six decades. Its field and temperature dependence highlights the crucial role played by Coulomb disorder in facilitating hopping conduction and suppressing the effect of Eg in the tens of meV regime. In contrast, mid-gap conduction decreases with increasing D much more rapidly in clean h-BN dual-gated devices. Our studies also show the evolution of the band structure in ABA-stacked TLG, in particular the splitting of the Dirac-like bands in large D field and the signatures of two-band transport at high carrier densities. Comparison to theory reveals the need for more sophisticated treatment of electronic screening beyond self-consistent Hartree calculations to accurately predict the band structures of trilayer graphene and graphenic materials in general.

  15. High-resolution global irradiance monitoring from photovoltaic systems

    Science.gov (United States)

    Buchmann, Tina; Pfeilsticker, Klaus; Siegmund, Alexander; Meilinger, Stefanie; Mayer, Bernhard; Pinitz, Sven; Steinbrecht, Wolfgang

    2016-04-01

    Reliable and regional differentiated power forecasts are required to guarantee an efficient and economic energy transition towards renewable energies. Amongst other renewable energy technologies, e.g. wind mills, photovoltaic systems are an essential component of this transition being cost-efficient and simply to install. Reliable power forecasts are however required for a grid integration of photovoltaic systems, which among other data requires high-resolution spatio-temporal global irradiance data. Hence the generation of robust reviewed global irradiance data is an essential contribution for the energy transition. To achieve this goal our studies introduce a novel method which makes use of photovoltaic power generation in order to infer global irradiance. The method allows to determine high-resolution temporal global irradiance data (one data point every 15 minutes at each location) from power data of operated photovoltaic systems. Due to the multitude of installed photovoltaic systems (in Germany) the detailed spatial coverage is much better than for example only using global irradiance data from conventional pyranometer networks (e.g. from the German Weather Service). Our designated method is composed of two components: a forward component, i.e. to conclude from predicted global irradiance to photovoltaic (PV) power, and a backward component, i.e. from PV power with suitable calibration to global irradiance. The forward process is modelled by using the radiation transport model libRadtran (B. Mayer and A. Kylling (1)) for clear skies to obtain the characteristics (orientation, size, temperature dependence, …) of individual PV systems. For PV systems in the vicinity of a meteorological station, these data are validated against calibrated pyranometer readings. The forward-modelled global irradiance is used to determine the power efficiency for each photovoltaic system using non-linear optimisation techniques. The backward component uses the power efficiency

  16. The influence of fabrication deviations on the photonic band gap of three-dimensional inverse woodpile nanostructures

    NARCIS (Netherlands)

    Woldering, L.A.; Mosk, Allard; Tjerkstra, R.W.; Vos, Willem L.

    2009-01-01

    The effects of unintended deviations from ideal inverse woodpile photonic crystals on the photonic band gap are discussed. Such deviations occur during the nanofabrication of the crystal. By computational analyses it is shown that the band gap of this type of crystal is robust to most types of

  17. Local density of optical states in the band gap of a finite one-dimensional photonic crystal

    NARCIS (Netherlands)

    Yeganegi Dastgerdi, Elahe; Lagendijk, Aart; Mosk, Allard; Vos, Willem L.

    2014-01-01

    We study the local density of states (LDOS) in a finite photonic crystal, in particular in the frequency range of the band gap. We propose an original point of view on the band gap, which we consider to be the result of vacuum fluctuations in free space that tunnel in the forbidden range in the

  18. Tuning characteristic of band gap and waveguide in a multi-stub locally resonant phononic crystal plate

    Directory of Open Access Journals (Sweden)

    Xiao-Peng Wang

    2015-10-01

    Full Text Available In this paper, the tuning characteristics of band gaps and waveguides in a locally resonant phononic crystal structure, consisting of multiple square stubs deposited on a thin homogeneous plate, are investigated. Using the finite element method and supercell technique, the dispersion relationships and power transmission spectra of those structures are calculated. In contrast to a system of one square stub, systems of multiple square stubs show wide band gaps at lower frequencies and an increased quantity of band gaps at higher frequencies. The vibration modes of the band gap edges are analyzed to clarify the mechanism of the generation of the lowest band gap. Additionally, the influence of the stubs arrangement on the band gaps in multi-stub systems is investigated. The arrangements of the stubs were found to influence the band gaps; this is critical to understand for practical applications. Based on this finding, a novel method to form defect scatterers by changing the arrangement of square stubs in a multi-stub perfect phononic crystal plate was developed. Defect bands can be induced by creating defects inside the original complete band gaps. The frequency can then be tuned by changing the defect scatterers’ stub arrangement. These results will help in fabricating devices such as acoustic filters and waveguides whose band frequency can be modulated.

  19. Next Generation of Photovoltaics New Concepts

    CERN Document Server

    Vega, Antonio; López, Antonio

    2012-01-01

    This book presents new concepts for a next generation of PV. Among these concepts are: Multijunction solar cells, multiple excitation solar cells (or how to take benefit of high energy photons for the creation of more than one electron hole-pair), intermediate band solar cells (or how to take advantage of below band-gap energy photons) and related technologies (for quantum dots, nitrides, thin films), advanced light management approaches (plasmonics). Written by world-class experts in next generation photovoltaics this book is an essential reference guide accessible to both beginners and experts working with solar cell technology. The book deeply analyzes the current state-of-the-art of the new photovoltaic approaches and outlines the implementation paths of these advanced devices. Topics addressed range from the fundamentals to the description of state-of-the-art of the new types of solar cells.

  20. Next generation of photovoltaics. New concepts

    Energy Technology Data Exchange (ETDEWEB)

    Cristobal Lopez, Ana Belen; Marti Vega, Antonio; Luque Lopez, Antonio (eds.) [Univ. Politecnica de Madrid (Spain). Inst. de Energia Solar E.T.S.I. Telecomunicacion

    2012-07-01

    This book presents new concepts for a next generation of PV. Among these concepts are: Multijunction solar cells, multiple excitation solar cells (or how to take benefit of high energy photons for the creation of more than one electron hole-pair), intermediate band solar cells (or how to take advantage of below band-gap energy photons) and related technologies (for quantum dots, nitrides, thin films), advanced light management approaches (plasmonics). Written by world-class experts in next generation photovoltaics this book is an essential reference guide accessible to both beginners and experts working with solar cell technology. The book deeply analyzes the current state-of-the-art of the new photovoltaic approaches and outlines the implementation paths of these advanced devices. Topics addressed range from the fundamentals to the description of state-of-the-art of the new types of solar cells. (orig.)

  1. Theoretical aspects of photonic band gap in 1D nano structure of LN: MgLN periodic layer

    International Nuclear Information System (INIS)

    Sisodia, Namita

    2015-01-01

    By using the transfer matrix method, we have analyzed the photonic band gap properties in a periodic layer of LN:MgLN medium. The Width of alternate layers of LN and MgLN is in the range of hundred nanometers. The birefringent and ferroelectric properties of the medium (i.e ordinary, extraordinary refractive indices and electric dipole moment) is given due considerations in the formulation of photonic band gap. Effect of electronic transition dipole moment of the medium on photonic band gap is also taken into account. We find that photonic band gap can be modified by the variation in the ratio of the width of two medium. We explain our findings by obtaining numerical values and the effect on the photonic band gap due to variation in the ratio of alternate medium is shown graphically

  2. Kaolinite: Defect defined material properties – A soft X-ray and first principles study of the band gap

    Energy Technology Data Exchange (ETDEWEB)

    Pietzsch, A., E-mail: annette.pietzsch@helmholtz-berlin.de [Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum für Materialien und Energie GmbH, Albert-Einstein-Str. 15, 12489 Berlin (Germany); Nisar, J. [Pakistan Atomic Energy Commission (PAEC), P.O. Box 2151, Islamabad (Pakistan); Jämstorp, E. [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Gråsjö, J. [Department of Pharmacy, Uppsala University, Box 580, 75123 Uppsala (Sweden); Århammar, C. [Coromant R& D, S-126 80 Stockholm (Sweden); Ahuja, R.; Rubensson, J.-E. [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala (Sweden)

    2015-07-15

    Highlights: • The respective electronic structure of synthetic and natural kaolinite is compared. • The size of the band gap and thus many important material properties are defined by defect states in the band gap. • The oxygen-based defect states are identified and analyzed. • The band gap of kaolinite decreases significantly due to the forming of defects. - Abstract: By combining X-ray absorption spectroscopy and first principles calculations we have determined the electronic structure of synthetic and natural kaolinite as a model system for engineered and natural clay materials. We have analyzed defect states in the band gap and find that both natural and synthetic kaolinite contain defects where oxygen replaces hydrogen in one of the Al (0 0 1)-hydroxyl groups of the kaolinite clay sheets. The band gap of both synthetic and natural kaolinite is found to decrease by about 3.2 eV as this defect is formed.

  3. Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

    Science.gov (United States)

    Degirmenci, Elif; Landais, Pascal

    2013-10-20

    Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

  4. Effects of corrugation shape on frequency band-gaps for longitudinal wave motion in a periodic elastic layer

    DEFF Research Database (Denmark)

    Sorokin, Vladislav

    2016-01-01

    The paper concerns determining frequency band-gaps for longitudinal wave motion in a periodic waveguide. The waveguide may be considered either as an elastic layer with variable thickness or as a rod with variable cross section. As a result, widths and locations of all frequency band-gaps are det......The paper concerns determining frequency band-gaps for longitudinal wave motion in a periodic waveguide. The waveguide may be considered either as an elastic layer with variable thickness or as a rod with variable cross section. As a result, widths and locations of all frequency band......, harmonic in the corrugation series. The revealed insights into the mechanism of band-gap formation can be used to predict locations and widths of all frequency band-gaps featured by any corrugation shape. These insights are general and can be valid also for other types of wave motion in periodic structures...

  5. Kaolinite: Defect defined material properties – A soft X-ray and first principles study of the band gap

    International Nuclear Information System (INIS)

    Pietzsch, A.; Nisar, J.; Jämstorp, E.; Gråsjö, J.; Århammar, C.; Ahuja, R.; Rubensson, J.-E.

    2015-01-01

    Highlights: • The respective electronic structure of synthetic and natural kaolinite is compared. • The size of the band gap and thus many important material properties are defined by defect states in the band gap. • The oxygen-based defect states are identified and analyzed. • The band gap of kaolinite decreases significantly due to the forming of defects. - Abstract: By combining X-ray absorption spectroscopy and first principles calculations we have determined the electronic structure of synthetic and natural kaolinite as a model system for engineered and natural clay materials. We have analyzed defect states in the band gap and find that both natural and synthetic kaolinite contain defects where oxygen replaces hydrogen in one of the Al (0 0 1)-hydroxyl groups of the kaolinite clay sheets. The band gap of both synthetic and natural kaolinite is found to decrease by about 3.2 eV as this defect is formed

  6. Colloidal Quantum Dot Photovoltaics: A Path Forward

    KAUST Repository

    Kramer, Illan J.

    2011-11-22

    Colloidal quantum dots (CQDs) offer a path toward high-efficiency photovoltaics based on low-cost materials and processes. Spectral tunability via the quantum size effect facilitates absorption of specific wavelengths from across the sun\\'s broad spectrum. CQD materials\\' ease of processing derives from their synthesis, storage, and processing in solution. Rapid advances have brought colloidal quantum dot photovoltaic solar power conversion efficiencies of 6% in the latest reports. These achievements represent important first steps toward commercially compelling performance. Here we review advances in device architecture and materials science. We diagnose the principal phenomenon-electronic states within the CQD film band gap that limit both current and voltage in devices-that must be cured for CQD PV devices to fulfill their promise. We close with a prescription, expressed as bounds on the density and energy of electronic states within the CQD film band gap, that should allow device efficiencies to rise to those required for the future of the solar energy field. © 2011 American Chemical Society.

  7. Band gap engineering of MoS{sub 2} upon compression

    Energy Technology Data Exchange (ETDEWEB)

    López-Suárez, Miquel, E-mail: miquel.lopez@nipslab.org [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, 06123 Perugia (Italy); Neri, Igor [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, 06123 Perugia (Italy); INFN Sezione di Perugia, via Pascoli, 06123 Perugia (Italy); Rurali, Riccardo [Institut de Ciència de Materials de Barcelona (ICMAB–CSIC) Campus de Bellaterra, 08193 Bellaterra, Barcelona (Spain)

    2016-04-28

    Molybdenum disulfide (MoS{sub 2}) is a promising candidate for 2D nanoelectronic devices, which shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS{sub 2} upon both compressive and tensile strains with first-principles density-functional calculations for different number of layers. The results show that the band-gap can be engineered for experimentally attainable strains (i.e., ±0.15). However, compressive strain can result in bucking that can prevent the use of large compressive strain. We then studied the stability of the compression, calculating the critical strain that results in the on-set of buckling for free-standing nanoribbons of different lengths. The results demonstrate that short structures, or few-layer MoS{sub 2}, show semi-conductor to metal transition upon compressive strain without bucking.

  8. Low Band Gap Polymers for Roll-to-Roll Coated Polymer Solar Cells

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Hagemann, Ole; Manceau, Matthieu

    2010-01-01

    connected cells were prepared with a total module active area of 96 cm2. The devices were tested for operational stability under simulated sunlight (AM1.5G) and natural sunlight, and the photochemical stability of the polymer was examined using a combination of UV−vis and IR spectroscopy.......We present the synthesis of a low band gap copolymer based on dithienothiophene and dialkoxybenzothiadiazole (poly(dithienothiophene-co-dialkoxybenzothiadiazole), PDTTDABT). The optical properties of the polymer showed a band gap of 1.6 eV and a sky-blue color in solid films. The polymer...... around a 1:2 mixing ratio. Roll-to-roll coated polymer solar cell devices were prepared under ambient conditions employing solution processing in all steps including the metallic back electrode that was printed as a grid giving semitransparent solar cell devices. Solar cell modules comprising 16 serially...

  9. Study of sub band gap absorption of Sn doped CdSe thin films

    International Nuclear Information System (INIS)

    Kaur, Jagdish; Rani, Mamta; Tripathi, S. K.

    2014-01-01

    The nanocrystalline thin films of Sn doped CdSe at different dopants concentration are prepared by thermal evaporation technique on glass substrate at room temperature. The effect of Sn doping on the optical properties of CdSe has been studied. A decrease in band gap value is observed with increase in Sn concentration. Constant photocurrent method (CPM) is used to study the absorption coefficient in the sub band gap region. Urbach energy has been obtained from CPM spectra which are found to increase with amount of Sn dopants. The refractive index data calculated from transmittance is used for the identification of oscillator strength and oscillator energy using single oscillator model which is found to be 7.7 and 2.12 eV, 6.7 and 2.5 eV for CdSe:Sn 1% and CdSe:Sn 5% respectively

  10. Cherenkov oscillator operating at the second band gap of leakage waveguide structures

    Directory of Open Access Journals (Sweden)

    Kyu-Ha Jang

    2016-10-01

    Full Text Available An electromagnetic wave source operating around second band gaps of metallic grating structures is presented. The considered metallic grating structures are not perfect periodic but inhomogeneously structured within a period to have a second band gap where the wavelength is equal to the period of the structures. The radiation mechanism by an electron beam in the structures is different from the well-known Smith-Purcell radiation occurring in perfect periodic grating structures. That is, the radiating wave has a single frequency and the radiation is unidirectional. When the energy of the electron beam is synchronized at the standing wave point in the dispersion curves, strong interaction happens and coherent radiation perpendicular to the grating surface is generated with relatively lower starting oscillation current.

  11. Polarization field gradient effects in inhomogeneous metal-ferroelectric bilayers: Optical response and band gap tunability

    Energy Technology Data Exchange (ETDEWEB)

    Vivas C, H., E-mail: hvivasc@unal.edu.co [Grupo de las Propiedades Opticas de los Materiales (POM), Departamento de Fisica, Universidad Nacional de Colombia, Sede Manizales, A.A. 127 (Colombia); Vargas-Hernandez, C. [Grupo de las Propiedades Opticas de los Materiales (POM), Departamento de Fisica, Universidad Nacional de Colombia, Sede Manizales, A.A. 127 (Colombia)

    2012-06-15

    Optical constants, reflectivity response and direct band gap energy (E{sub g}{sup d}) were calculated and simulated by developing an electrodynamic-based model for a three medium system, namely vacuum/ferroelectric film/metallic substrate. Depolarization effects due to the contact between the metallic substrate and the FE film, as well as the spatially dependent profile of the dielectric susceptibility {epsilon}(z) enter into the formalism by adapting the phenomenological Landau-Ginzburg-Devonshire theory (LGD). Absorption coefficient is obtained from the Lambert-Beer-Bouguer (LBB) approximation and the direct band gap energy as a function of the characteristic length is calculated by using the general Tauc power law. Numerical simulations lead to range of values for tunable E{sub g}{sup d} from 2.6 to 2.8 eV for characteristic lengths up to 30% the thickness of the film, in concordance with recent reports.

  12. Electrostatic tuning of Kondo effect in a rare-earth-doped wide-band-gap oxide

    KAUST Repository

    Li, Yongfeng; Deng, Rui; Lin, Weinan; Tian, Yufeng; Peng, Haiyang; Yi, Jiabao; Yao, Bin; Wu, Tao

    2013-01-01

    As a long-lived theme in solid-state physics, the Kondo effect reflects the many-body physics involving the short-range Coulomb interactions between itinerant electrons and localized spins in metallic materials. Here we show that the Kondo effect is present in ZnO, a prototypical wide-band-gap oxide, doped with a rare-earth element (Gd). The localized 4f electrons of Gd ions do not produce remanent magnetism, but interact strongly with the host electrons, giving rise to a saturating resistance upturn and negative magnetoresistance at low temperatures. Furthermore, the Kondo temperature and resistance can be electrostatically modulated using electric-double-layer gating with liquid ionic electrolyte. Our experiments provide the experimental evidence of tunable Kondo effect in ZnO, underscoring the magnetic interactions between localized and itinerant electrons and the emergent transport behaviors in such doped wide-band-gap oxides.

  13. Light-gated single CdSe nanowire transistor: photocurrent saturation and band gap extraction

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yang, E-mail: yangzh08@gmail.com; Chakraborty, Ritun; Kudera, Stefan; Krahne, Roman, E-mail: roman.krahne@iit.it [Istituto Italiano di Tecnologia, Nanochemistry department (Italy)

    2015-11-15

    CdSe nanowires are popular building blocks for many optoelectronic devices mainly owing to their direct band gap in the visible range of the spectrum. Here we investigate the optoelectronic properties of single CdSe nanowires fabricated by colloidal synthesis, in terms of their photocurrent–voltage characteristics and photoconductivity spectra recorded at 300 and 18 K. The photocurrent is identified as the secondary photocurrent, which gives rise to a photoconductive gain of ∼35. We observe a saturation of the photocurrent beyond a certain voltage bias that can be related to the finite drift velocity of electrons. From the photoconductivity spectra, we determine the band gap energy of the nanowires as ∼1.728 eV, and we resolve low-energy peaks that can be associated with sub-bandgap states.Graphical Abstract.

  14. Band gap tuning in transition metal oxides by site-specific substitution

    Science.gov (United States)

    Lee, Ho Nyung; Chisholm, Jr., Matthew F; Jellison, Jr., Gerald Earle; Singh, David J; Choi, Woo Seok

    2013-12-24

    A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

  15. Effects of weak nonlinearity on dispersion relations and frequency band-gaps of periodic structures

    DEFF Research Database (Denmark)

    Sorokin, Vladislav; Thomsen, Jon Juel

    2015-01-01

    of these for nonlinear problems is impossible or cumbersome, since Floquet theory is applicable for linear systems only. Thus the nonlinear effects for periodic structures are not yet fully uncovered, while at the same time applica-tions may demand effects of nonlinearity on structural response to be accounted for....... The present work deals with analytically predicting dynamic responses for nonlinear continuous elastic periodic structures. Specifically, the effects of weak nonlinearity on the dispersion re-lation and frequency band-gaps of a periodic Bernoulli-Euler beam performing bending os-cillations are analyzed......The analysis of the behaviour of linear periodic structures can be traced back over 300 years, to Sir Isaac Newton, and still attracts much attention. An essential feature of periodic struc-tures is the presence of frequency band-gaps, i.e. frequency ranges in which waves cannot propagate...

  16. Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State.

    Science.gov (United States)

    Lim, A; Foulkes, W M C; Horsfield, A P; Mason, D R; Schleife, A; Draeger, E W; Correa, A A

    2016-01-29

    We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. An analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.

  17. Band Gap Changes Of Single Walled Carbon Nanotubes Under Uniaxial Strain

    International Nuclear Information System (INIS)

    Dereli, G.

    2010-01-01

    The study of the band gap variation with mechanical deformation is important in manipulations of Single Walled Carbon Nanotubes (SWCNT). In this study we investigated the electronic band structure and the mechanical properties of (12,0) and (13,0) SWCNTs under the effect of uniaxial strain. Electronic and mechanical properties are studied using a parallel, order N, tight-binding molecular dynamics (O(N) TBMD) simulation code designed by G. Dereli et. al. We showed the effect of uniaxial strain on the variations of band gaps and the total energy per atom of (12,0) and (13,0) SWCNTs. We calculated Young's modulus and the Poisson ratio of these SWCNTs. The research reported here was supported through the Yildiz Technical University Research Found Project No: 24-01-01-04. Simulations are performed in parallel environment at Carbon Nanotube Simulation Laboratory of Yildiz Technical University.

  18. Three-dimensional ordered particulate structures: Method to retrieve characteristics from photonic band gap data

    International Nuclear Information System (INIS)

    Miskevich, Alexander A.; Loiko, Valery A.

    2015-01-01

    A method to retrieve characteristics of ordered particulate structures, such as photonic crystals, is proposed. It is based on the solution of the inverse problem using data on the photonic band gap (PBG). The quasicrystalline approximation (QCA) of the theory of multiple scattering of waves and the transfer matrix method (TMM) are used. Retrieval of the refractive index of particles is demonstrated. Refractive indices of the artificial opal particles are estimated using the published experimental data. - Highlights: • A method to retrieve characteristics of photonic crystals is proposed. • The method is based on the inverse problem solution using the photonic band gap data. • Retrieval of the refractive index of photonic crystal particles is demonstrated. • Retrieval results show inhomogeneous distribution of synthetic opal particle pores

  19. Effect of Sn on the optical band gap determined using absorption spectrum fitting method

    Energy Technology Data Exchange (ETDEWEB)

    Heera, Pawan, E-mail: sramanb70@mailcity.com [Department of Physics, Himachal Pradesh University, Shimla, INDIA, 171005 (India); Govt. College Amb, Himachal Pradesh, INDIA,177203 (India); Kumar, Anup, E-mail: kumar.anup.sml@gmail.com [Department of Physics, Himachal Pradesh University, Shimla, INDIA, 171005 (India); Physics Department, Govt. College, Kullu, H. P., INDIA, 175101 (India); Sharma, Raman, E-mail: pawanheera@yahoo.com [Department of Physics, Himachal Pradesh University, Shimla, INDIA, 171005 (India)

    2015-05-15

    We report the preparation and the optical studies on tellurium rich glasses thin films. The thin films of Se{sub 30}Te{sub 70-x} Sn{sub x} system for x= 0, 1.5, 2.5 and 4.5 glassy alloys prepared by melt quenching technique are deposited on the glass substrate using vacuum thermal evaporation technique. The analysis of absorption spectra in the spectral range 400nm–4000 nm at room temperature obtained from UV-VIS-NIR spectrophotometer [Perkin Elmer Lamda-750] helps us in the optical characterization of the thin films under study. The absorption spectrum fitting method is applied by using the Tauc’s model for estimating the optical band gap and the width of the band tail of the thin films. The optical band gap is calculated and is found to decrease with the Sn content.

  20. Band gap structure modification of amorphous anodic Al oxide film by Ti-alloying

    DEFF Research Database (Denmark)

    Canulescu, Stela; Rechendorff, K.; Borca, C. N.

    2014-01-01

    The band structure of pure and Ti-alloyed anodic aluminum oxide has been examined as a function of Ti concentration varying from 2 to 20 at. %. The band gap energy of Ti-alloyed anodic Al oxide decreases with increasing Ti concentration. X-ray absorption spectroscopy reveals that Ti atoms...... are not located in a TiO2 unit in the oxide layer, but rather in a mixed Ti-Al oxide layer. The optical band gap energy of the anodic oxide layers was determined by vacuum ultraviolet spectroscopy in the energy range from 4.1 to 9.2 eV (300–135 nm). The results indicate that amorphous anodic Al2O3 has a direct...

  1. Measurements of quasiparticle tunneling dynamics in a band-gap-engineered transmon qubit.

    Science.gov (United States)

    Sun, L; DiCarlo, L; Reed, M D; Catelani, G; Bishop, Lev S; Schuster, D I; Johnson, B R; Yang, Ge A; Frunzio, L; Glazman, L; Devoret, M H; Schoelkopf, R J

    2012-06-08

    We have engineered the band gap profile of transmon qubits by combining oxygen-doped Al for tunnel junction electrodes and clean Al as quasiparticle traps to investigate energy relaxation due to quasiparticle tunneling. The relaxation time T1 of the qubits is shown to be insensitive to this band gap engineering. Operating at relatively low-E(J)/E(C) makes the transmon transition frequency distinctly dependent on the charge parity, allowing us to detect the quasiparticles tunneling across the qubit junction. Quasiparticle kinetics have been studied by monitoring the frequency switching due to even-odd parity change in real time. It shows the switching time is faster than 10  μs, indicating quasiparticle-induced relaxation has to be reduced to achieve T1 much longer than 100  μs.

  2. Acoustic band gaps of the woodpile sonic crystal with the simple cubic lattice

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Liang-Yu; Chen, Lien-Wen, E-mail: chenlw@mail.ncku.edu.t [Department of Mechanical Engineering, National Cheng Kung University, Tainan 70101, Taiwan (China)

    2011-02-02

    This study theoretically and experimentally investigates the acoustic band gap of a three-dimensional woodpile sonic crystal. Such crystals are built by blocks or rods that are orthogonally stacked together. The adjacent layers are perpendicular to each other. The woodpile structure is embedded in air background. Their band structures and transmission spectra are calculated using the finite element method with a periodic boundary condition. The dependence of the band gap on the width of the stacked rods is discussed. The deaf bands in the band structure are observed by comparing with the calculated transmission spectra. The experimental transmission spectra for the {Gamma}-X and {Gamma}-X' directions are also presented. The calculated results are compared with the experimental results.

  3. Vibrational effects on surface energies and band gaps in hexagonal and cubic ice

    International Nuclear Information System (INIS)

    Engel, Edgar A.; Needs, Richard J.; Monserrat, Bartomeu

    2016-01-01

    Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from −1.2 eV for the cubic ice basal surface up to −1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.

  4. Fabrication of 3-D Photonic Band Gap Crystals Via Colloidal Self-Assembly

    Science.gov (United States)

    Subramaniam, Girija; Blank, Shannon

    2005-01-01

    The behavior of photons in a Photonic Crystals, PCs, is like that of electrons in a semiconductor in that, it prohibits light propagation over a band of frequencies, called Photonic Band Gap, PBG. Photons cannot exist in these band gaps like the forbidden bands of electrons. Thus, PCs lend themselves as potential candidates for devices based on the gap phenomenon. The popular research on PCs stem from their ability to confine light with minimal losses. Large scale 3-D PCs with a PBG in the visible or near infra red region will make optical transistors and sharp bent optical fibers. Efforts are directed to use PCs for information processing and it is not long before we can have optical integrated circuits in the place of electronic ones.

  5. Band-Gap Engineering in ZnO Thin Films: A Combined Experimental and Theoretical Study

    Science.gov (United States)

    Pawar, Vani; Jha, Pardeep K.; Panda, S. K.; Jha, Priyanka A.; Singh, Prabhakar

    2018-05-01

    Zinc oxide thin films are synthesized and characterized using x-ray diffraction, field-emission scanning electron microscopy, atomic force microscopy, and optical spectroscopy. Our results reveal that the structural, morphological, and optical properties are closely related to the stress of the sample provided that the texture of the film remains the same. The anomalous results are obtained once the texture is altered to a different orientation. We support this experimental observation by carrying out first-principles hybrid functional calculations for two different orientations of the sample and show that the effect of quantum confinement is much stronger for the (100) surface than the (001) surface of ZnO. Furthermore, our calculations provide a route to enhance the band gap of ZnO by more than 50% compared to the bulk band gap, opening up possibilities for wide-range industrial applications.

  6. Spectroscopic studies on novel donor-acceptor and low band-gap polymeric semiconductors

    International Nuclear Information System (INIS)

    Cravino, A.

    2002-11-01

    Novel low band-gap conjugated polymeric semiconductors as well as conjugated electron donor chains carrying electron acceptor substituents were electrochemically prepared and investigated by means of different spectroscopic techniques. Using in situ FTIR and ESR spectroelectrochemistry, the spectroscopic features of injected positive charges are found to be different as opposed to the negative charge carriers on the same conjugated polymer. These results, for which the theoretical models so far developed do not account, demonstrate the different structure and delocalization of charge carriers with opposite signs. In addition, vibrational spectroscopy results proof the enhanced 'quinoid' character of low band-gap conjugated chains. Excited state spectroscopy was applied to study photoexcitations in conjugated polymers carrying tetracyanoanthraquinone type or fullerene moieties. This novel class of materials, hereafter called double-cable polymers, was found promising as alternative to the conjugated polymer:fullerene mixtures currently used for the preparation of 'bulk-heterojunction' polymeric solar cells. (author)

  7. Simultaneous large band gaps and localization of electromagnetic and elastic waves in defect-free quasicrystals.

    Science.gov (United States)

    Yu, Tianbao; Wang, Zhong; Liu, Wenxing; Wang, Tongbiao; Liu, Nianhua; Liao, Qinghua

    2016-04-18

    We report numerically large and complete photonic and phononic band gaps that simultaneously exist in eight-fold phoxonic quasicrystals (PhXQCs). PhXQCs can possess simultaneous photonic and phononic band gaps over a wide range of geometric parameters. Abundant localized modes can be achieved in defect-free PhXQCs for all photonic and phononic polarizations. These defect-free localized modes exhibit multiform spatial distributions and can confine simultaneously electromagnetic and elastic waves in a large area, thereby providing rich selectivity and enlarging the interaction space of optical and elastic waves. The simulated results based on finite element method show that quasiperiodic structures formed of both solid rods in air and holes in solid materials can simultaneously confine and tailor electromagnetic and elastic waves; these structures showed advantages over the periodic counterparts.

  8. Harnessing the bistable composite shells to design a tunable phononic band gap structure

    Science.gov (United States)

    Li, Yi; Xu, Yanlong

    2018-02-01

    By proposing a system composed of an array of bistable composite shells immersed in air, we develop a new class of periodic structure to control the propagation of sound. Through numerical investigation, we find that the acoustic band gap of this system can be switched on and off by triggering the snap through deformation of the bistable composite shells. The shape of cross section and filling fraction of unit cell can be altered by different number of bistable composite shells, and they have strong impact on the position and width of the band gap. The proposed concept paves the way of using the bistable structures to design a new class of metamaterials that can be enable to manipulate sound.

  9. Design of nanostrip magnonic crystal waveguides with a single magnonic band gap

    International Nuclear Information System (INIS)

    Wang, Qi; Zhong, Zhiyong; Jin, Lichuan; Tang, Xiaoli; Bai, Feiming; Zhang, Huaiwu; Beach, Geoffrey S.D.

    2013-01-01

    A novel planar structure of magnonic-crystal waveguide (MCW) with periodic rectangular-shaped holes embedded in a magnetic nanostrip film was designed. The effects of the distance between rectangular-shaped holes in the width direction of MCW on magnonic band structures were studied by micromagnetic simulations. The results show that a MCW with a single magnonic band gap can be obtained by adjusting the distance to meet the condition of Bragg reflection of spin waves in the width direction of MCW. Moreover, the center frequency and width of magnonic gap can be regulated by changing the period and length of rectangular-shaped holes. - Highlights: • Design a novel planar structure of magnonic-crystal waveguide. • The physical origin of a single magnonic band gap. • Study of the center frequency and width of magnonic gap

  10. Band gap of corundumlike α -Ga2O3 determined by absorption and ellipsometry

    Science.gov (United States)

    Segura, A.; Artús, L.; Cuscó, R.; Goldhahn, R.; Feneberg, M.

    2017-07-01

    The electronic structure near the band gap of the corundumlike α phase of Ga2O3 has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400-190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which yields an exciton binding energy of 110 meV and direct band gaps of 5.61 and 6.44 eV. The large broadening of the absorption onset is related to the slightly indirect character of the material.

  11. Band gap and band offset of (GaIn)(PSb) lattice matched to InP

    Science.gov (United States)

    Köhler, F.; Böhm, G.; Meyer, R.; Amann, M.-C.

    2005-07-01

    Metastable (GaxIn1-x)(PySb1-y) layers were grown on (001) InP substrates by gas source molecular beam epitaxy. Low-temperature photoluminescence spectroscopy was applied to these heterostructures and revealed spatially indirect band-to-band recombination of electrons localized in the InP with holes in the (GaxIn1-x)(PySb1-y). In addition, samples with layer thicknesses larger than 100nm showed direct PL across the band gap of (GaxIn1-x)(PySb1-y). Band-gap energies and band offset energies of (GaxIn1-x)(PySb1-y) relative to InP were derived from these PL data. A strong bowing parameter was observed.

  12. Mechanical Properties of a Library of Low-Band-Gap Polymers

    DEFF Research Database (Denmark)

    Roth, Bérenger; Savagatrup, Suchol; de los Santos, Nathaniel V.

    2016-01-01

    The mechanical properties of low-band-gap polymers are important for the long-term survivability of roll to-roll processed organic electronic devices. Such devices, e.g., solar cells, displays, and thin-film transistors, must survive the rigors of roll-to-roll coating and also thermal...... of low-band-gap polymers to better understand the connection between molecular structures and mechanical properties in order to design conjugated polymers that permit mechanical robustness and even extreme deformability. While one of the principal conclusions of these experiments is that the structure...... of an isolated molecule only partially determines the mechanical properties another important codeterminant is the packing structure some general trends can be identified. (1) Fused rings tend to increase the modulus and decrease the ductility. (2) Branched side chains have the opposite effect. Despite...

  13. Optical band gap of ZnO thin films deposited by electron beam evaporation

    International Nuclear Information System (INIS)

    Nadeem, M. Y.; Ali, S. L.; Wasiq, M. F.; Rana, A. M.

    2006-01-01

    Optical band gap of ZnO thin films deposited by electron beam evaporation at evaporation rates ranging 5 As/sup -1/ to 15 As /sup -1/ and thickness ranging 1000A to 3000A is presented. Deposited films were annealed at 573K for one and half hour. The variations in the optical band gap were observed and showed decreasing behavior from 3.15 eV, 3.05 eV, from 3.18 eV to 3.10 eV and from 3.19 eV to 3.18 eV for films with respective thickness 1000A, 2000 A, 3000 A on increasing the evaporation rate from 5 As/sup-1/ to As/sup -1/ by keeping thickness constant. (author)

  14. Optical band gap study of a-Se and Se-Sb thin films

    International Nuclear Information System (INIS)

    Kaur, Ramandeep; Singh, Palwinder; Thakur, Anup

    2016-01-01

    Amorphous selenium (a-Se) and a-Se_9_5Sb_5 alloy were prepared using melt quenching technique. X-ray diffraction (XRD) pattern confirmed the amorphous nature of the prepared samples. Composition of the prepared samples has been determined using Energy dispersive X-ray fluorescence (EDXRF) technique. Differential thermal analysis (DTA) confirmed the glassy nature of the prepared samples. Thin films of the prepared samples were deposited on glass substrate using thermal evaporation method. Amorphous nature of the deposited films was confirmed using XRD. Optical properties of these films were obtained from the UV-VIS transmission spectra, at normal incidence, over 200-1100 nm spectral range. The optical absorption edge was described by using the model given by the Tauc. Optical band gap of the deposited films was calculated using Tauc plot. Optical characterization showed that average transmission and optical band gap decreased with the addition of antinomy.

  15. Intrinsic magnetism and spontaneous band gap opening in bilayer silicene and germanene.

    Science.gov (United States)

    Wang, Xinquan; Wu, Zhigang

    2017-01-18

    It has been long sought to create magnetism out of simple non-magnetic materials, such as silicon and germanium. Here we show that intrinsic magnetism exists in bilayer silicene and germanene with no need to cut, etch, or dope. Unlike bilayer graphene, strong covalent interlayer bonding formed in bilayer silicene and germanene breaks the original π-bonding network of each layer, leaving the unbonded electrons unpaired and localized to carry magnetic moments. These magnetic moments then couple ferromagnetically within each layer while antiferromagnetically across two layers, giving rise to an infinite magnetic sheet with structural integrity and magnetic homogeneity. Furthermore, this unique magnetic ordering results in fundamental band gaps of 0.55 eV and 0.32 eV for bilayer silicene and germanene, respectively. The integration of intrinsic magnetism and spontaneous band gap opening makes bilayer silicene and germanene attractive for future nanoelectronics as well as spin-based computation and data storage.

  16. Electrostatic tuning of Kondo effect in a rare-earth-doped wide-band-gap oxide

    KAUST Repository

    Li, Yongfeng

    2013-04-29

    As a long-lived theme in solid-state physics, the Kondo effect reflects the many-body physics involving the short-range Coulomb interactions between itinerant electrons and localized spins in metallic materials. Here we show that the Kondo effect is present in ZnO, a prototypical wide-band-gap oxide, doped with a rare-earth element (Gd). The localized 4f electrons of Gd ions do not produce remanent magnetism, but interact strongly with the host electrons, giving rise to a saturating resistance upturn and negative magnetoresistance at low temperatures. Furthermore, the Kondo temperature and resistance can be electrostatically modulated using electric-double-layer gating with liquid ionic electrolyte. Our experiments provide the experimental evidence of tunable Kondo effect in ZnO, underscoring the magnetic interactions between localized and itinerant electrons and the emergent transport behaviors in such doped wide-band-gap oxides.

  17. Effect of eddy current damping on phononic band gaps generated by locally resonant periodic structures

    Science.gov (United States)

    Ozkaya, Efe; Yilmaz, Cetin

    2017-02-01

    The effect of eddy current damping on a novel locally resonant periodic structure is investigated. The frequency response characteristics are obtained by using a lumped parameter and a finite element model. In order to obtain wide band gaps at low frequencies, the periodic structure is optimized according to certain constraints, such as mass distribution in the unit cell, lower limit of the band gap, stiffness between the components in the unit cell, the size of magnets used for eddy current damping, and the number of unit cells in the periodic structure. Then, the locally resonant periodic structure with eddy current damping is manufactured and its experimental frequency response is obtained. The frequency response results obtained analytically, numerically and experimentally match quite well. The inclusion of eddy current damping to the periodic structure decreases amplitudes of resonance peaks without disturbing stop band width.

  18. Study of sub band gap absorption of Sn doped CdSe thin films

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Jagdish; Rani, Mamta [Department of Physics, Panjab University, Chandigarh- 160014 (India); Tripathi, S. K., E-mail: surya@pu.ac.in [Centre of Advanced Study in Physics, Panjab University, Chandigarh- 160014 (India)

    2014-04-24

    The nanocrystalline thin films of Sn doped CdSe at different dopants concentration are prepared by thermal evaporation technique on glass substrate at room temperature. The effect of Sn doping on the optical properties of CdSe has been studied. A decrease in band gap value is observed with increase in Sn concentration. Constant photocurrent method (CPM) is used to study the absorption coefficient in the sub band gap region. Urbach energy has been obtained from CPM spectra which are found to increase with amount of Sn dopants. The refractive index data calculated from transmittance is used for the identification of oscillator strength and oscillator energy using single oscillator model which is found to be 7.7 and 2.12 eV, 6.7 and 2.5 eV for CdSe:Sn 1% and CdSe:Sn 5% respectively.

  19. Photovoltaics

    International Nuclear Information System (INIS)

    Prince, M.B.

    1994-01-01

    Photovoltaic energy systems have the long range potential for supplying a significant part of the world's need for electricity Even today, such systems offer many benefits compared to other energy systems such as fossil fuel, nuclear and other renewable systems. These include: stability, reliability, require no water, no moving parts, environmentally benign, moderate efficiency, modular, universally usable, easy maintenance, and low power distribution costs. This paper will present information on present costs of the key system components, realistic cost projections and the results of a comparative study of three renewable approaches for a large system. (author), (tabs. 2)

  20. Three-dimensional ordered particulate structures: Method to retrieve characteristics from photonic band gap data

    Science.gov (United States)

    Miskevich, Alexander A.; Loiko, Valery A.

    2015-01-01

    A method to retrieve characteristics of ordered particulate structures, such as photonic crystals, is proposed. It is based on the solution of the inverse problem using data on the photonic band gap (PBG). The quasicrystalline approximation (QCA) of the theory of multiple scattering of waves and the transfer matrix method (TMM) are used. Retrieval of the refractive index of particles is demonstrated. Refractive indices of the artificial opal particles are estimated using the published experimental data.

  1. Optical band gap and magnetic properties of unstrained EuTiO3 films

    International Nuclear Information System (INIS)

    Lee, J. H.; Ke, X.; Schiffer, P.; Podraza, N. J.; Kourkoutis, L. Fitting; Fennie, C. J.; Muller, D. A.; Heeg, T.; Schlom, D. G.; Roeckerath, M.; Schubert, J.; Freeland, J. W.

    2009-01-01

    Phase-pure, stoichiometric, unstrained, epitaxial (001)-oriented EuTiO 3 thin films have been grown on (001) SrTiO 3 substrates by reactive molecular-beam epitaxy. Magnetization measurements show antiferromagnetic behavior with T N =5.5 K, similar to bulk EuTiO 3 . Spectroscopic ellipsometry measurements reveal that EuTiO 3 films have a direct optical band gap of 0.93±0.07 eV.

  2. Hypersonic band gap in an AlN-TiN bilayer phononic crystal slab

    Czech Academy of Sciences Publication Activity Database

    Hemon, S.; Akjouj, A.; Soltani, A.; Pennec, Y.; El Hassouani, Y.; Talbi, A.; Mortet, Vincent; Djafari-Rouhani, B.

    2014-01-01

    Roč. 104, č. 6 (2014), , "063101-1"-"063101-5" ISSN 0003-6951 Grant - others:AV ČR(CZ) Fellowship J. E. Purkyně Institutional support: RVO:68378271 Keywords : band gap * III-V semiconductors * AIN films * photonic bandgap materials * thin film deposition * band structure * surface acoustic waves * bulk materials Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.302, year: 2014

  3. Bulk band gaps in divalent hexaborides: A soft x-ray emission study

    International Nuclear Information System (INIS)

    Denlinger, Jonathan D.; Gweon, Gey-Hong; Allen, James W.; Bianchi, Andrea D.; Fisk, Zachary

    2001-01-01

    Boron K-edge soft x-ray emission and absorption are used to address the fundamental question of whether divalent hexaborides are intrinsic semimetals or defect-doped bandgap insulators. These bulk sensitive measurements, complementary and consistent with surface-sensitive angle-resolved photoemission experiments, confirm the existence of a bulk band gap and the location of the chemical potential at the bottom of the conduction band

  4. Design of ultra compact polarization splitter based on complete photonic band gap

    Science.gov (United States)

    Sinha, R. K.; Nagpal, Yogita

    2005-11-01

    Certain select structures in photonic crystals (PhCs) exhibit complete photonic band gap i.e. a frequency region where the photonic band gaps for both polarizations (i.e. transverse electric and transverse magnetic modes) exist and overlap. One of the most fundamental applications of the photonic band gap structures is the design of photonic crystal waveguides, which can be made by inserting linear defects in the photonic crystal structures. By setting closely two parallel 2D PhC waveguides, a directional waveguide coupler can be designed, which can be used to design a polarization splitter. In this paper we design a polarization splitter in a photonic crystal structure composed of two dimensional honeycomb pattern of dielectric rods in air. This photonic crystal structure exhibits a complete photonic band gap that extends from λ = 1.49 μm to λ = 1.61 μm, where lambda is the wavelength in free space, providing a large bandwidth of 120 nm. A polarization splitter can be made by designing a polarization selective coupler. The coupling lengths at various wavelengths for both polarizations have been calculated using the Finite Difference Time Domain method. It has been shown that the coupling length, for TE polarization is much smaller as compared to that for the TM polarization. This principle is used to design a polarization splitter of length 32 μm at λ = 1.55 μm. Further, the spectral response of the extinction ratios for both polarizations in the two waveguides at propagation distance of 32 μm has been studied.

  5. Low-band gap copolymers containing thienothiadiazole units: Synthesis, optical, and electrochemical properties

    Czech Academy of Sciences Publication Activity Database

    Kmínek, Ivan; Výprachtický, Drahomír; Kříž, Jaroslav; Dybal, Jiří; Cimrová, Věra

    2010-01-01

    Roč. 48, č. 13 (2010), s. 2743-2756 ISSN 0887-624X R&D Projects: GA MŠk(CZ) 1M06031; GA AV ČR IAA4050409 Institutional research plan: CEZ:AV0Z40500505 Keywords : conjugated polymers * electrochemistry * low-band gap Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.894, year: 2010

  6. Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation

    Science.gov (United States)

    Jiang, Hong

    2013-04-01

    The semi-local Becke-Johnson (BJ) exchange-correlation potential and its modified form proposed by Tran and Blaha (TB-mBJ) have attracted a lot of interest recently because of the surprisingly accurate band gaps they can deliver for many semiconductors and insulators. In this work, we have investigated the performance of the TB-mBJ potential for the description of electronic band structures in a comprehensive set of semiconductors and insulators. We point out that a perturbative use of the TB-mBJ potential can give overall better results. By investigating a set of IIB-VI and III-V semiconductors, we point out that although the TB-mBJ approach can describe the band gap of these materials quite well, the binding energies of semi-core d-states in these materials deviate strongly from experiment. The difficulty of the TB-mBJ potential to describe the localized states is likely the cause for the fact that the electronic band structures of Cu2O and La2O3 are still poorly described. Based on these observations, we propose to combine the TB-mBJ approach with the Hubbard U correction for localized d/f states, which is able to provide overall good descriptions for both the band gaps and semi-core states binding energies. We further apply the approach to calculate the band gaps of a set of Ti(IV)-oxides, many of which have complicated structures so that the more advanced methods like GW are expensive to treat directly. An overall good agreement with experiment is obtained, which is remarkable considering its little computational efforts compared to GW.

  7. Thiophene-fused tetracene diimide with low band gap and ambipolar behavior

    KAUST Repository

    Ye, Qun

    2011-11-18

    The first tetracene diimide derivative fused with four thiophene rings, TT-TDI, was synthesized by an FeCl3 mediated oxidative cyclodehydrogenation reaction. TT-TDI exhibited a low band gap of 1.52 eV and amphoteric redox behavior. TT-TDI also showed a liquid crystalline property and ambipolar charge transport in thin film field-effect transistors. © 2011 American Chemical Society.

  8. Thiophene-fused tetracene diimide with low band gap and ambipolar behavior

    KAUST Repository

    Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Chi, Chunyan

    2011-01-01

    The first tetracene diimide derivative fused with four thiophene rings, TT-TDI, was synthesized by an FeCl3 mediated oxidative cyclodehydrogenation reaction. TT-TDI exhibited a low band gap of 1.52 eV and amphoteric redox behavior. TT-TDI also showed a liquid crystalline property and ambipolar charge transport in thin film field-effect transistors. © 2011 American Chemical Society.

  9. Enhancement of Faraday rotation at photonic-band-gap edge in garnet-based magnetophotonic crystals

    International Nuclear Information System (INIS)

    Zhdanov, A.G.; Fedyanin, A.A.; Aktsipetrov, O.A.; Kobayashi, D.; Uchida, H.; Inoue, M.

    2006-01-01

    Spectral dependences of Faraday rotation angle in one-dimensional garnet-based magnetophotonic crystals are considered. The enhancement of Faraday angle is demonstrated at the photonic band gap (PBG) edge both theoretically and experimentally. It is shown to be associated with the optical field localization in the magnetic layers of the structure. The advantages of magnetophotonic crystals in comparison with traditional magnetic microcavities are discussed. The specially designed microcavity structures optimized for the Faraday effect enhancement at the PBG edge are suggested

  10. Broadband Light Absorption and Efficient Charge Separation Using a Light Scattering Layer with Mixed Cavities for High-Performance Perovskite Photovoltaic Cells with Stability.

    Science.gov (United States)

    Moon, Byeong Cheul; Park, Jung Hyo; Lee, Dong Ki; Tsvetkov, Nikolai; Ock, Ilwoo; Choi, Kyung Min; Kang, Jeung Ku

    2017-08-01

    CH 3 NH 3 PbI 3 is one of the promising light sensitizers for perovskite photovoltaic cells, but a thick layer is required to enhance light absorption in the long-wavelength regime ranging from PbI 2 absorption edge (500 nm) to its optical band-gap edge (780 nm) in visible light. Meanwhile, the thick perovskite layer suppresses visible-light absorption in the short wavelengths below 500 nm and charge extraction capability of electron-hole pairs produced upon light absorption. Herein, we find that a new light scattering layer with the mixed cavities of sizes in 100 and 200 nm between transparent fluorine-doped tin oxide and mesoporous titanium dioxide electron transport layer enables full absorption of short-wavelength photons (λ cell with a light scattering layer of mixed cavities is stabilized due to suppressed charge accumulation. Consequently, this work provides a new route to realize broadband light harvesting of visible light for high-performance perovskite photovoltaic cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Thiophene-rich fused-aromatic thienopyrazine acceptor for donor–acceptor low band-gap polymers for OTFT and polymer solar cell applications

    KAUST Repository

    Mondal, Rajib

    2010-01-01

    Thiophene enriched fused-aromatic thieno[3,4-b]pyrazine systems were designed and employed to produce low band gap polymers (Eg = 1.0-1.4 eV) when copolymerized with fluorene and cyclopentadithiophene. The copolymers are mainly investigated for organic thin film transistor and organic photovoltaic applications. Molecular packing in the thin films of these polymers was investigated using Grazing incidence X-ray Scattering. Although both fluorene and cyclopentadithiophene polymers follow similar face to face π-π stacking, the latter polymers show much smaller lamellar d-spacings due to side-chain interdigitation between the lamellae. This lead to the higher charge carrier mobilities in cyclopentadithiophene polymers (up to 0.044 cm2/V.s) compared to fluorene polymers (up to 8.1 × 10-3 cm2/V.s). Power conversion efficiency of 1.4% was achieved using fluorene copolymer in solar cells with a fullerene derivative as an acceptor. Although the cyclopentadithiophene polymers show lower band gaps with higher absorption coefficients compared to fluorene copolymers, but the power conversion efficiencies in solar cells of these polymers are low due to their low ionization potentials. © The Royal Society of Chemistry 2010.

  12. Low band gap frequencies and multiplexing properties in 1D and 2D mass spring structures

    International Nuclear Information System (INIS)

    Aly, Arafa H; Mehaney, Ahmed

    2016-01-01

    This study reports on the propagation of elastic waves in 1D and 2D mass spring structures. An analytical and computation model is presented for the 1D and 2D mass spring systems with different examples. An enhancement in the band gap values was obtained by modeling the structures to obtain low frequency band gaps at small dimensions. Additionally, the evolution of the band gap as a function of mass value is discussed. Special attention is devoted to the local resonance property in frequency ranges within the gaps in the band structure for the corresponding infinite periodic lattice in the 1D and 2D mass spring system. A linear defect formed of a row of specific masses produces an elastic waveguide that transmits at the narrow pass band frequency. The frequency of the waveguides can be selected by adjusting the mass and stiffness coefficients of the materials constituting the waveguide. Moreover, we pay more attention to analyze the wave multiplexer and DE-multiplexer in the 2D mass spring system. We show that two of these tunable waveguides with alternating materials can be employed to filter and separate specific frequencies from a broad band input signal. The presented simulation data is validated through comparison with the published research, and can be extended in the development of resonators and MEMS verification. (paper)

  13. Negative refractions by triangular lattice sonic crystals in partial band gaps

    International Nuclear Information System (INIS)

    Alagoz, S.; Sahin, A.; Alagoz, B. B.; Nur, S.

    2015-01-01

    This study numerically demonstrates the effects of partial band gaps on the negative refraction properties of sonic crystal. The partial band gap appearing at the second band edge leads to the efficient transmissions of scattered wave envelopes in the transverse directions inside triangular lattice sonic crystal, and therefore enhances the refraction property of sonic crystal. Numerical simulation results indicate a diagonal guidance of coupled scattered wave envelopes inside crystal structure at the partial band gap frequencies and then output waves are restored in the vicinity of the output interface of sonic crystal by combining phase coherent scattered waves according to Huygens’ principles. This mechanism leads to two operations for wavefront engineering: one is spatial wavefront shifting operation and the other is convex–concave wavefront inversion operation. The effects of this mechanism on the negative refraction and wave focalization are investigated by using the finite difference time domain (FDTD) simulations. This study contributes to a better understanding of negative refraction and wave focusing mechanisms at the band edge frequencies, and shows the applications of the slab corner beam splitting and SC-air multilayer acoustic system. (paper)

  14. Optical band gap energy and ur bach tail of CdS:Pb2+ thin films

    Energy Technology Data Exchange (ETDEWEB)

    Chavez, M.; Juarez, H.; Pacio, M. [Universidad Autonoma de Puebla, Instituto de Ciencias, Centro de Investigacion en Dispositivos Semiconductores, Av. 14 Sur, Col. Jardines de San Manuel, Ciudad Universitaria, Puebla, Pue. (Mexico); Gutierrez, R.; Chaltel, L.; Zamora, M.; Portillo, O. [Universidad Autonoma de Puebla, Facultad de Ciencias Quimicas, Laboratorio de Materiales, Apdo. Postal 1067, 72001 Puebla, Pue. (Mexico); Mathew, X., E-mail: osporti@yahoo.mx [UNAM, Instituto de Energias Renovables, Temixco, Morelos (Mexico)

    2016-11-01

    Pb S-doped CdS nano materials were successfully synthesized using chemical bath. Transmittance measurements were used to estimate the optical band gap energy. Tailing in the band gap was observed and found to obey Ur bach rule. The diffraction X-ray show that the size of crystallites is in the ∼33 nm to 12 nm range. The peaks belonging to primary phase are identified at 2θ = 26.5 degrees Celsius and 2θ = 26.00 degrees Celsius corresponding to CdS and Pb S respectively. Thus, a shift in maximum intensity peak from 2θ = 26.4 to 28.2 degrees Celsius is clear indication of possible transformation of cubic to hexagonal phase. Also peaks at 2θ = 13.57, 15.9 degrees Celsius correspond to lead perchlorate thiourea. The effects on films thickness and substrate doping on the band gap energy and the width on tail were investigated. Increasing doping give rise to a shift in optical absorption edge ∼0.4 eV. (Author)

  15. Electronic structures and band gaps of chains and sheets based on phenylacetylene units

    International Nuclear Information System (INIS)

    Kondo, Masakazu; Nozaki, Daijiro; Tachibana, Masamitsu; Yumura, Takashi; Yoshizawa, Kazunari

    2005-01-01

    We investigate the electronic structures of polymers composed of π-conjugated phenylacetylene (PA) units, m-PA-based and p-PA-based wires, at the extended Hueckel level of theory. It is demonstrated that these conjugated systems should have a variety of electric conductance. All of the one-dimensional (1D) chains and the two-dimensional (2D) sheet based on the m-PA unit are insulators with large band gaps of 2.56 eV because there is no effective orbital interaction with neighboring chains. On the other hand, p-PA-based 1D chains have relatively small band gaps that decrease with an increase in chain width (1.17-1.74 eV) and are semiconductive. The p-PA-based sheet called 'graphyne', a 2D-limit of the p-PA-based 1D chains, shows a small band gap of 0.89 eV. The variety of band electronic structures is discussed in terms of frontier crystal orbitals

  16. Band-gap tunable dielectric elastomer filter for low frequency noise

    Science.gov (United States)

    Jia, Kun; Wang, Mian; Lu, Tongqing; Zhang, Jinhua; Wang, Tiejun

    2016-05-01

    In the last decades, diverse materials and technologies for sound insulation have been widely applied in engineering. However, suppressing the noise radiation at low frequency still remains a challenge. In this work, a novel membrane-type smart filter, consisting of a pre-stretched dielectric elastomer membrane with two compliant electrodes coated on the both sides, is presented to control the low frequency noise. Since the stiffness of membrane dominates its acoustic properties, sound transmission band-gap of the membrane filter can be tuned by adjusting the voltage applied to the membrane. The impedance tube experiments have been carried out to measure the sound transmission loss (STL) of the filters with different electrodes, membrane thickness and pre-stretch conditions. The experimental results show that the center frequency of sound transmission band-gap mainly depends on the stress in the dielectric elastomer, and a large band-gap shift (more than 60 Hz) can be achieved by tuning the voltage applied to the 85 mm diameter VHB4910 specimen with pre-stretch {λ }0=3. Based on the experimental results and the assumption that applied electric field is independent of the membrane behavior, 3D finite element analysis has also been conducted to calculate the membrane stress variation. The sound filter proposed herein may provide a promising facility to control low frequency noise source with tonal characteristics.

  17. Surface origin and control of resonance Raman scattering and surface band gap in indium nitride

    International Nuclear Information System (INIS)

    Alarcón-Lladó, Esther; Brazzini, Tommaso; Ager, Joel W

    2016-01-01

    Resonance Raman scattering measurements were performed on indium nitride thin films under conditions where the surface electron concentration was controlled by an electrolyte gate. As the surface condition is tuned from electron depletion to accumulation, the spectral feature at the expected position of the ( E 1 , A 1 ) longitudinal optical (LO) near 590 cm −1 shifts to lower frequency. The shift is reversibly controlled with the applied gate potential, which clearly demonstrates the surface origin of this feature. The result is interpreted within the framework of a Martin double resonance, where the surface functions as a planar defect, allowing the scattering of long wavevector phonons. The allowed wavevector range, and hence the frequency, is modulated by the electron accumulation due to band gap narrowing. A surface band gap reduction of over 500 meV is estimated for the conditions of maximum electron accumulation. Under conditions of electron depletion, the full InN bandgap ( E g   =  0.65 eV) is expected at the surface. The drastic change in the surface band gap is expected to influence the transport properties of devices which utilize the surface electron accumulation layer. (paper)

  18. Surface origin and control of resonance Raman scattering and surface band gap in indium nitride

    Science.gov (United States)

    Alarcón-Lladó, Esther; Brazzini, Tommaso; Ager, Joel W.

    2016-06-01

    Resonance Raman scattering measurements were performed on indium nitride thin films under conditions where the surface electron concentration was controlled by an electrolyte gate. As the surface condition is tuned from electron depletion to accumulation, the spectral feature at the expected position of the (E 1, A 1) longitudinal optical (LO) near 590 cm-1 shifts to lower frequency. The shift is reversibly controlled with the applied gate potential, which clearly demonstrates the surface origin of this feature. The result is interpreted within the framework of a Martin double resonance, where the surface functions as a planar defect, allowing the scattering of long wavevector phonons. The allowed wavevector range, and hence the frequency, is modulated by the electron accumulation due to band gap narrowing. A surface band gap reduction of over 500 meV is estimated for the conditions of maximum electron accumulation. Under conditions of electron depletion, the full InN bandgap (E g  =  0.65 eV) is expected at the surface. The drastic change in the surface band gap is expected to influence the transport properties of devices which utilize the surface electron accumulation layer.

  19. Ultrawide low frequency band gap of phononic crystal in nacreous composite material

    International Nuclear Information System (INIS)

    Yin, J.; Huang, J.; Zhang, S.; Zhang, H.W.; Chen, B.S.

    2014-01-01

    The band structure of a nacreous composite material is studied by two proposed models, where an ultrawide low frequency band gap is observed. The first model (tension-shear chain model) with two phases including brick and mortar is investigated to describe the wave propagation in the nacreous composite material, and the dispersion relation is calculated by transfer matrix method and Bloch theorem. The results show that the frequency ranges of the pass bands are quite narrow, because a special tension-shear chain motion in the nacreous composite material is formed by some very slow modes. Furthermore, the second model (two-dimensional finite element model) is presented to investigate its band gap by a multi-level substructure scheme. Our findings will be of great value to the design and synthesis of vibration isolation materials in a wide and low frequency range. Finally, the transmission characteristics are calculated to verify the results. - Highlights: • A Brick-and-Mortar structure is used to discuss wave propagation through nacreous materials. • A 1D Bloch wave solution of nacreous materials with a tension-shear chain model is obtained. • The band structure and transmission characteristics of nacreous materials with the FE model are examined. • An ultrawide low frequency band gap is found in nacreous materials with both theory and FE model

  20. Band gap engineering of hydrogenated amorphous carbon thin films for solar cell application

    Science.gov (United States)

    Dwivedi, Neeraj; Kumar, Sushil; Dayal, Saurabh; Rauthan, C. M. S.; Panwar, O. S.; Malik, Hitendra K.

    2012-10-01

    In this work, self bias variation, nitrogen introduction and oxygen plasma (OP) treatment approaches have been used for tailoring the band gap of hydrogenated amorphous carbon (a-C:H) thin films. The band gap of a-C:H and modified a- C:H films is varied in the range from 1.25 eV to 3.45 eV, which is found to be nearly equal to the full solar spectrum (1 eV- 3.5 eV). Hence, such a-C:H and modified a-C:H films are found to be potential candidate for the development of full spectrum solar cells. Besides this, computer aided simulation with considering variable band gap a-C:H and modified a- C:H films as window layer for amorphous silicon p-i-n solar cells is also performed by AFORS-HET software and maximum efficiency as ~14 % is realized. Since a-C:H is hard material, hence a-C:H and modified a-C:H films as window layer may avoid the use of additional hard and protective coating particularly in n-i-p configuration.

  1. Towards from indirect to direct band gap and optical properties of XYP{sub 2} (X=Zn, Cd; Y=Si, Ge, Sn)

    Energy Technology Data Exchange (ETDEWEB)

    Ullah, Sibghat [Department of Physics, Hazara University Mansehra, KPK (Pakistan); Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Lab, Department of Physics, Islamia College, Peshawar (Pakistan); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Reshak, A.H. [New Technologies—Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Hayat, S.S. [Department of Physics, Hazara University Mansehra, KPK (Pakistan); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia)

    2014-05-15

    First principle calculations are performed to predict the electronic and optical properties of XYP{sub 2} (X=Zn, Cd; Y=Si, Ge, Sn) compounds. The calculations show an excellent agreement with the available experimental results as compared to previous calculations. The band gap value decreases by changing the cations X from Zn to Cd as well as Y from Si to Ge to Sn in XYP{sub 2}. The d-states of the Zn and Cd contribute majorly in the density of states. Bonding nature in these compounds is analyzed from the electron density plots. Optical response of these compounds is noted from the complex refractive index and reflectivity spectra. The wide direct band gap and the high reflectivity in the visible and ultraviolet regions for these compounds make them potential candidates for optoelectronic and photonic applications.

  2. Band gap modification and ferroelectric properties of Bi{sub 0.5}(Na,K){sub 0.5}TiO{sub 3}-based by Li substitution

    Energy Technology Data Exchange (ETDEWEB)

    Quan, Ngo Duc [Department of General Physics, School of Engineering Physics, Ha Noi University of Science and Technology, 1 Dai Co Viet road, Ha Noi (Viet Nam); International Training Institute for Materials Science, Hanoi University of Science and Technology, 1 Dai Co Viet road, Hanoi (Viet Nam); Hung, Vu Ngoc [International Training Institute for Materials Science, Hanoi University of Science and Technology, 1 Dai Co Viet road, Hanoi (Viet Nam); Quyet, Nguyen Van [Hanautech Co., Ltd., 832, Tamnip-dong, Yuseong-gu, Daejeon (Korea, Republic of); Chung, Hoang Vu [Institute of Materials Science, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet street, Hanoi (Viet Nam); Dung, Dang Duc, E-mail: dung.dangduc@hust.edu.vn [Department of General Physics, School of Engineering Physics, Ha Noi University of Science and Technology, 1 Dai Co Viet road, Ha Noi (Viet Nam)

    2014-01-15

    We report on the reduction of band gap in Bi{sub 0.5}(Na{sub 0.82-x}Li{sub x}K{sub 0.18}){sub 0.5}(Ti{sub 0.95}Sn{sub 0.05})O{sub 3} from 2.99 eV to 2.84 eV due to the substitutions of Li{sup +} ions to Na{sup +} sites. In addition, the lithium substitution samples exhibit an increasing of the maximal polarizations from 21.8 to 25.7 μC/cm{sup 2}. The polarization enhancement of ferroelectric and reduction of the band gaps are strongly related to the Li substitution concentration as evaluated via the electronegative between A-site and oxygen and tolerance factor. The results are promising for photovoltaic and photocatalytic applications.

  3. Extended two-temperature model for ultrafast thermal response of band gap materials upon impulsive optical excitation

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Taeho [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Samsung Advanced Institute of Technology, Suwon 443-803 (Korea, Republic of); Teitelbaum, Samuel W.; Wolfson, Johanna; Nelson, Keith A., E-mail: kanelson@mit.edu [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Kandyla, Maria [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens 116-35 (Greece)

    2015-11-21

    Thermal modeling and numerical simulations have been performed to describe the ultrafast thermal response of band gap materials upon optical excitation. A model was established by extending the conventional two-temperature model that is adequate for metals, but not for semiconductors. It considers the time- and space-dependent density of electrons photoexcited to the conduction band and accordingly allows a more accurate description of the transient thermal equilibration between the hot electrons and lattice. Ultrafast thermal behaviors of bismuth, as a model system, were demonstrated using the extended two-temperature model with a view to elucidating the thermal effects of excitation laser pulse fluence, electron diffusivity, electron-hole recombination kinetics, and electron-phonon interactions, focusing on high-density excitation.

  4. Self-imaging effect of TM modes in photonic crystal multimode waveguides only exhibiting band gaps for TE modes

    International Nuclear Information System (INIS)

    Yu Tianbao; Jiang Xiaoqing; Yang Jianyi; Zhou Haifeng; Liao Qinghua; Wang Minghua

    2007-01-01

    This Letter presents the properties of transverse-magnetic (TM) modes in multimode photonic crystal waveguides (PCWs), which only exhibit photonic band gaps for transverse-electric (TE) modes. A good equivalent model is applied to analysis the designed structures on the basis of multimode interference effect and self-imaging principle. The performance shows that the TM modes can also be propagated with high efficiency, and resemble index-guided modes owing to the combination of total internal reflection (TIR) and distribution Bragg reflection. It provides a novel way to realize the components for both TM and TE polarizations by combining PBG and TIR effect in PCWs. As one of potential applications, polarization-insensitive power splitter based on the proposed structures can be designed

  5. Synergic effect of the TiO2-CeO2 nanoconjugate system on the band-gap for visible light photocatalysis

    International Nuclear Information System (INIS)

    Contreras-García, M.E.; García-Benjume, M. Lorena; Macías-Andrés, Víctor I.; Barajas-Ledesma, E.; Medina-Flores, A.; Espitia-Cabrera, M.I.

    2014-01-01

    Graphical abstract: - Highlights: • Nanostructured TiO 2 -CeO 2 films are successfully synthesized by combining of sputtering and electrophoresis methods. • Synergic effect of CeO 2 on TiO 2 band gap was demonstrated, CeO 2 diminishes it from 3.125 to 2.74. • Morphologic characterization of the nanoconjugate TiO 2 -CeO 2 films by different microscopy techniques. - Abstract: The TiO 2 -CeO 2 photocatalytic system in films is proposed here, in order to obtain photocatalytic systems that can be excited by solar light. The films were obtained through the electrophoretic deposition (EPD) of TiO 2 -CeO 2 gel on sputtered Ti Corning glass substrates. The synergic effect of CeO 2 in TiO 2 films was analyzed as a function of the optical band gap reduction at different concentrations (1, 5, 10, and 15 mol%). The effect of two thermal treatments was also evaluated. The lowest band gap value was obtained for the sample with 5 mol% ceria that was thermally treated at 700 °C. The nanostructured films were characterized by Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), high angle annular dark field (HAADF), high resolution transmission electron microscopy (HRTEM), and atomic force microscopy (AFM). The nanocomposites were formed by TiO 2 and CeO 2 nanoparticles in the anatase and fluorite type phases, respectively

  6. CdS_xTe_1_-_x ternary semiconductors band gaps calculation using ground state and GW approximations

    International Nuclear Information System (INIS)

    Kheloufi, Nawal; Bouzid, Abderrazak

    2016-01-01

    We present band gap calculations of zinc-blende ternary CdS_xTe_1_-_x semiconductors within the standard DFT and quasiparticle calculations employing pseudopotential method. The DFT, the local density approximation (LDA) and the Generalized Gradient Approximation (GGA) based calculations have given very poor results compared to experimental data. The quasiparticle calculations have been investigated via the one-shot GW approximation. The present paper discuses and confirms the effect of inclusion of the semicore states in the cadmium (Cd) pseudopotential. The obtained GW quasiparticle band gap using Cd"+"2"0 pseudopotential has been improved compared to the obtained results from the available pseudopotential without the treatment of semicore states. Our DFT and quasiparticle band gap results are discussed and compared to the available theoretical calculations and experimental data. - Graphical abstract: Band gaps improvement concerning the binary and ternary alloys using the GW approximation and Cd"2"0"+ pseudopotential with others levels of approximations (the LDA and GGA approximation employing the Cd"1"2"+ and the LDA within Cd"2"0"+ pseudopotential). - Highlights: • The direct Γ- Γ and indirect Γ- X and Γ- L bands gaps show a nonlinear behavior when S content is enhanced. • The quasiparticle band gap result for the investigated semiconductors is improved using the GW approximation. • All CdS_xTe_1_-_x compounds in all compositions range from 0 to 1 are direct band gap semiconductors.

  7. Nanostructured pyronin Y thin films as a new organic semiconductor: Linear/nonlinear optics, band gap and dielectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Zahran, H.Y. [Metallurgical Lab.1, Nanoscience Laboratory for Environmental and Bio-medical Applications (NLEBA), Semiconductor Lab., Department of Physics, Faculty of Education, Ain Shams University, Roxy, 11757 Cairo (Egypt); Advanced Functional Materials & Optoelectronic Laboratory (AFMOL), Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha (Saudi Arabia); Yahia, I.S., E-mail: dr_isyahia@yahoo.com [Metallurgical Lab.1, Nanoscience Laboratory for Environmental and Bio-medical Applications (NLEBA), Semiconductor Lab., Department of Physics, Faculty of Education, Ain Shams University, Roxy, 11757 Cairo (Egypt); Advanced Functional Materials & Optoelectronic Laboratory (AFMOL), Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha (Saudi Arabia); Alamri, F.H. [Advanced Functional Materials & Optoelectronic Laboratory (AFMOL), Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha (Saudi Arabia)

    2017-05-15

    Pyronin Y dye (PY) is a kind of xanthene derivatives. Thin films of pyronin Y were deposited onto highly cleaned glass substrates using low-cost/spin coating technique. The structure properties of pyronin Y thin films with different thicknesses were investigated by using X-ray diffraction (XRD) and atomic force microscope (AFM). PY thin films for all the studied thicknesses have an amorphous structure supporting the short range order of the grain size. AFM supports the nanostructure with spherical/clusters morphologies of the investigated thin films. The optical constants of pyronin Y thin films for various thicknesses were studied by using UV–vis–NIR spectrophotometer in the wavelength range 350–2500 nm. The transmittance T(λ), reflectance R(λ) spectral and absorbance (abs(λ)) were obtained for all film thicknesses at room temperature and the normal light incident. These films showed a high transmittance in the wide scale wavelengths. For different thicknesses of the studied thin films, the optical band gaps were determined and their values around 2 eV. Real and imaginary dielectric constants, dissipation factor and the nonlinear optical parameters were calculated in the wavelengths to the range 300–2500 nm. The pyronin Y is a new organic semiconductor with a good optical absorption in UV–vis regions and it is suitable for nonlinear optical applications. - Highlights: • Pyronin Y (PY) nanostructured thin films were deposited by using spin coating technique. • XRD/AFM were used to study the structure of PY films. • The optical band gap was calculated on the basis of Tauc's model. • Linear/nonlinear optical parameters are calculated and interpreted via the applied optical theories. • PY thin films is a new organic semiconductor for its application in optoelectronic devices.

  8. Multifunctional Binary Monolayers Ge xP y: Tunable Band Gap, Ferromagnetism, and Photocatalyst for Water Splitting.

    Science.gov (United States)

    Li, Pengfei; Zhang, Wei; Li, Dongdong; Liang, Changhao; Zeng, Xiao Cheng

    2018-06-04

    The most stable structures of two-dimensional Ge x P y and Ge x As y monolayers with different stoichiometries (e.g., GeP, GeP 2 , and GeP 3 ) are explored systematically through the combination of the particle-swarm optimization technique and density functional theory optimization. For GeP 3 , we show that the newly predicted most stable C2/ m structure is 0.16 eV/atom lower in energy than the state-of-the-art P3̅m1 structure reported previously ( Nano Lett. 2017, 17, 1833). The computed electronic band structures suggest that all the stable and metastable monolayers of Ge x P y are semiconductors with highly tunable band gaps under the biaxial strain, allowing strain engineering of their band gaps within nearly the whole visible-light range. More interestingly, the hole doping can convert the C2/ m GeP 3 monolayer from nonmagnetic to ferromagnetic because of its unique valence band structure. For the GeP 2 monolayer, the predicted most stable Pmc2 1 structure is a (quasi) direct-gap semiconductor that possesses a high electron mobility of ∼800 cm 2 V -1 s -1 along the k a direction, which is much higher than that of MoS 2 (∼200 cm 2 V -1 s -1 ). More importantly, the Pmc2 1 GeP 2 monolayer not only can serve as an n-type channel material in field-effect transistors but also can be an effective catalyst for splitting water.

  9. Photovoltaic

    International Nuclear Information System (INIS)

    Fechner, H.; Heidenreich, M.

    2001-01-01

    In 1993 a wide test for photovoltaic (PV) was carried out in Austria, 110 stations were built and precise measurements were done. At that time the demand of integrating direct current from solar cells into the 50 Hz alternating current network was a weak point. At present four european research projects dealing with security, reliability, network compatibility and its integration in buildings are being developed. The cost development of PVs in Germany from 1983 to 1998 is given. Because of the PV environmental quality, one million of new intallations are demanded (until 2010) by the European commission. In Austria exists ∼5,000 kWp installed capacity and the growth rate average in the last years was 30 %. (nevyjel)

  10. Compositional dependence of the band-gap of Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wendav, Torsten, E-mail: wendav@physik.hu-berlin.de [AG Theoretische Optik & Photonik, Humboldt Universität zu Berlin, Newtonstr. 15, 12489 Berlin (Germany); Fischer, Inga A.; Oehme, Michael; Schulze, Jörg [Institut für Halbleitertechnik, Universität Stuttgart, Pfaffenwaldring 47, 70569 Stuttgart (Germany); Montanari, Michele; Zoellner, Marvin Hartwig; Klesse, Wolfgang [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Capellini, Giovanni [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Dipartimento di Scienze, Università Roma Tre, Viale Marconi 446, 00146 Roma (Italy); Driesch, Nils von den; Buca, Dan [Peter Grünberg Institute 9 (PGI 9) and JARA-Fundamentals of Future Information Technologies, Forschungszentrum Jülich, 52428 Jülich (Germany); Busch, Kurt [AG Theoretische Optik & Photonik, Humboldt Universität zu Berlin, Newtonstr. 15, 12489 Berlin (Germany); Max-Born-Institut, Max-Born-Str. 2 A, 12489 Berlin (Germany)

    2016-06-13

    The group-IV semiconductor alloy Ge{sub 1−x−y}Si{sub x}Sn{sub y} has recently attracted great interest due to its prospective potential for use in optoelectronics, electronics, and photovoltaics. Here, we investigate molecular beam epitaxy grown Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys lattice-matched to Ge with large Si and Sn concentrations of up to 42% and 10%, respectively. The samples were characterized in detail by Rutherford backscattering/channeling spectroscopy for composition and crystal quality, x-ray diffraction for strain determination, and photoluminescence spectroscopy for the assessment of band-gap energies. Moreover, the experimentally extracted material parameters were used to determine the SiSn bowing and to make predictions about the optical transition energy.

  11. Tracking strategy for photovoltaic solar systems in high latitudes

    International Nuclear Information System (INIS)

    Quesada, Guillermo; Guillon, Laura; Rousse, Daniel R.; Mehrtash, Mostafa; Dutil, Yvan; Paradis, Pierre-Luc

    2015-01-01

    Highlights: • In cloudy conditions tracking the sun is ineffective. • A methodology to estimate a theoretical threshold for solar tracking was developed. • A tracking strategy to maximize electricity production was proposed. - Abstract: Several studies show that from about 20% to 50% more solar energy can be recovered by using photovoltaic systems that track the sun rather than systems set at a fixed angle. For overcast or cloudy days, recent studies propose the use of a set position in which each photovoltaic panel faces toward the zenith (horizontal position). Compared to a panel that follows the sun’s path, this approach claims that a horizontal panel increases the amount of solar radiation captured and subsequently the quantity of electricity produced. The present work assesses a solar tracking photovoltaic panel hourly and seasonally in high latitudes. A theoretical method based on an isotropic sky model was formulated, implemented, and used in a case study analysis of a grid-connected photovoltaic system in Montreal, Canada. The results obtained, based on the definition of a critical hourly global solar radiation, were validated numerically and experimentally. The study confirmed that a zenith-set sun tracking strategy for overcast or mostly cloudy days in summer is not advantageous

  12. Band gap tuning in As40Se53Sb07 thin films by 532 nm laser irradiation: An optical investigation by spectroscopic techniques

    Science.gov (United States)

    Pradhan, Prabhudutta; Naik, R.; Das, N.; Panda, A. K.

    2018-01-01

    The chalcogenide thin films belongs to a special category of important materials due to the unique IR transparency and light induced linear and non linear optical properties change. The optical band gap tuning in thermally evaporated As40Se53Sb07 chalcogenide thin film is being probed under the influence of 532 nm laser illumination. The gradual decrease in transmission and red shift of optical absorption edge with illumination at different time scale is recorded by Fourier transmission infrared spectroscopy. The simultaneous increase in refractive index and absorption coefficient of the illuminated film makes the material as useful candidate for optical switching. The dispersion of refractive index is being analyzed by using Wemple-DiDomenico (WDD) single oscillator model and static refractive index (n0) has also been reported. The exponential decrease of optical band gap with time is attributed to the increase in density of localized states and vacancies. The entire mechanism is explained by the microscopic model in which heteropolar bonds are converted to homopolar ones by the absorption of high energy photons investigated by X-ray photoelectron spectra. The amorphous nature of the studied films was revealed from X-ray diffraction and composition of the film was determined from energy dispersive X-ray analysis. The surface morphology was determined from the scanning electron microscopy. The optical change in absorption coefficient, refractive index, band gap by influence in laser irradiation in such materials may be suitable for optical disc(memory) application for optical time division switch.

  13. Energy Band Gap, Intrinsic Carrier Concentration and Fermi Level of CdTe Bulk Crystal between 304 K and 1067 K

    Science.gov (United States)

    Su, Ching-Hua

    2007-01-01

    Optical transmission measurements were performed on CdTe bulk single crystal. It was found that when a sliced and polished CdTe wafer was used, a white film started to develop when the sample was heated above 530 K and the sample became opaque. Therefore, a bulk crystal of CdTe was first grown in the window area by physical vapor transport; the optical transmission was then measured and from which the energy band gap was derived between 304 and 1067 K. The band gaps of CdTe can be fit well as a function of temperature using the Varshini expression: Eg (e V) = 1.5860 - 5.9117xl0(exp -4) T(sup 2)/(T + 160). Using the band gap data, the high temperature electron-hole equilibrium was calculated numerically by assuming the Kane's conduction band structure and a heavy-hole parabolic valance band. The calculated intrinsic carrier concentrations agree well with the experimental data reported previously. The calculated intrinsic Fermi levels between 270 and 1200 K were also presented.

  14. Ionothermal synthesis of discrete supertetrahedral Tn (n = 4, 5) clusters with tunable components, band gaps, and fluorescence properties.

    Science.gov (United States)

    Yang, Dan-Dan; Li, Wei; Xiong, Wei-Wei; Li, Jian-Rong; Huang, Xiao-Ying

    2018-05-01

    The preparation of crystalline molecularly supertetrahedral Tn clusters with variable sizes and components is of vital importance for the fundamental study of their physicochemical properties. However, setting up an efficient method to stabilize large discrete Tn clusters is a challenge due to their high negative charges and polymerization nature. In this work, we report on the ionothermal synthesis of three discrete T4 cluster compounds, namely [Bmmim]5[(CH3)2NH2]4[NH4][M4In16S31(SH)4]·6H2O (M = Mn (1), Zn (2), Cd (3), Bmmim = 1-buty-2,3-dimethyl-imidazolium), and four discrete T5 cluster compounds, namely [Bmmim]10[NH4]3[Cu5Ga30-xInxS52(SH)4] (x = 6.6 (5), 14.5 (6), 23.8 (7), and 30 (8)). The compound [Bmmim]10[NH4]3[Cu5Ga30S52(SH)4] (4) previously reported by us features a discrete T5 cluster. The steep UV-Vis absorption edges indicate band gaps of 2.20 eV for 1, 2.64 eV for 2, 2.69 eV for 3, 3.04 eV for 4, 2.65 eV for 5, 2.48 eV for 6, 2.32 eV for 7, and 2.30 eV for 8. The compositions of T5 clusters could be varied with the ratios of Ga : In in the starting reagents, providing an opportunity to systematically control the band gaps and fluorescence performances of T5 cluster-based compounds. This research might advance the understanding of the ionothermal preparation and functionality tuning of crystalline chalcogenides.

  15. Metamorphosis of strain/stress on optical band gap energy of ZAO thin films via manipulation of thermal annealing process

    International Nuclear Information System (INIS)

    Malek, M.F.; Mamat, M.H.; Musa, M.Z.; Soga, T.; Rahman, S.A.; Alrokayan, Salman A.H.; Khan, Haseeb A.; Rusop, M.

    2015-01-01

    We report on the growth of Al-doped ZnO (ZAO) thin films prepared by the sol–gel technique associated with dip-coating onto Corning 7740 glass substrates. The influence of varying thermal annealing (T a ) temperature on crystallisation behaviour, optical and electrical properties of ZAO films has been systematically investigated. All films are polycrystalline with a hexagonal wurtzite structure with a preferential orientation according to the direction 〈0 0 2〉. The metamorphosis of strain/stress effects in ZAO thin films has been investigated using X-ray diffraction. The as growth films have a large compressive stress of 0.55 GPa, which relaxed to 0.25 GPa as the T a was increased to 500 °C. Optical parameters such as optical transmittance, absorption coefficient, refractive index and optical band gap energy have been studied and discussed with respect to T a . All films exhibit a transmittance above 80–90% along the visible–NIR range up to 1500 nm and a sharp absorption onset below 400 nm corresponding to the fundamental absorption edge of ZnO. Experimental results show that the tensile stress in the films reveals an incline pattern with the optical band gap energy, while the compressive stress shows opposite relation. - Highlights: • Minimum stress of highly c-axis oriented ZAO was grown at suitable T a temperature. • The ZAO crystal orientation was influenced by strain/stress of the film. • Minimum stress/strain of ZAO film leads to lower defects. • Bandgap and defects were closely intertwined with strain/stress. • We report additional optical and electrical properties based on T a temperature

  16. Metamorphosis of strain/stress on optical band gap energy of ZAO thin films via manipulation of thermal annealing process

    Energy Technology Data Exchange (ETDEWEB)

    Malek, M.F., E-mail: firz_solarzelle@yahoo.com [NANO-ElecTronic Centre (NET), Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); NANO-SciTech Centre (NST), Institute of Science (IOS), Universiti Teknologi MARA UiTM, 40450 Shah Alam, Selangor (Malaysia); Mamat, M.H. [NANO-ElecTronic Centre (NET), Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); Musa, M.Z. [NANO-ElecTronic Centre (NET), Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM) Pulau Pinang, Jalan Permatang Pauh, 13500 Permatang Pauh, Pulau Pinang (Malaysia); Soga, T. [Department of Frontier Materials, Nagoya Institute of Technology (NITech), Nagoya 466-8555 (Japan); Rahman, S.A. [Low Dimensional Materials Research Centre (LDMRC), Department of Physics, Faculty of Science, Universiti Malaya (UM), 50603 Kuala Lumpur (Malaysia); Alrokayan, Salman A.H.; Khan, Haseeb A. [Department of Biochemistry, College of Science, King Saud University (KSU), Riyadh 11451 (Saudi Arabia); Rusop, M. [NANO-ElecTronic Centre (NET), Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); NANO-SciTech Centre (NST), Institute of Science (IOS), Universiti Teknologi MARA UiTM, 40450 Shah Alam, Selangor (Malaysia)

    2015-04-15

    We report on the growth of Al-doped ZnO (ZAO) thin films prepared by the sol–gel technique associated with dip-coating onto Corning 7740 glass substrates. The influence of varying thermal annealing (T{sub a}) temperature on crystallisation behaviour, optical and electrical properties of ZAO films has been systematically investigated. All films are polycrystalline with a hexagonal wurtzite structure with a preferential orientation according to the direction 〈0 0 2〉. The metamorphosis of strain/stress effects in ZAO thin films has been investigated using X-ray diffraction. The as growth films have a large compressive stress of 0.55 GPa, which relaxed to 0.25 GPa as the T{sub a} was increased to 500 °C. Optical parameters such as optical transmittance, absorption coefficient, refractive index and optical band gap energy have been studied and discussed with respect to T{sub a}. All films exhibit a transmittance above 80–90% along the visible–NIR range up to 1500 nm and a sharp absorption onset below 400 nm corresponding to the fundamental absorption edge of ZnO. Experimental results show that the tensile stress in the films reveals an incline pattern with the optical band gap energy, while the compressive stress shows opposite relation. - Highlights: • Minimum stress of highly c-axis oriented ZAO was grown at suitable T{sub a} temperature. • The ZAO crystal orientation was influenced by strain/stress of the film. • Minimum stress/strain of ZAO film leads to lower defects. • Bandgap and defects were closely intertwined with strain/stress. • We report additional optical and electrical properties based on T{sub a} temperature.

  17. Tuning the Optoelectronic Properties of Vinylene-Linked Donor−Acceptor Copolymers for Organic Photovoltaics

    KAUST Repository

    Ko, Sangwon; Mondal, Rajib; Risko, Chad; Lee, Jung Kyu; Hong, Sanghyun; McGehee, Michael D.; Brédas, Jean-Luc; Bao, Zhenan

    2010-01-01

    -property relationships in organic photovoltaic devices. Both alternating (P) and random copolymers (P1-P4) were prepared via Suzuki and Stille polycondensations, respectively. The cyclopentadithiophene copolymers (P2 and P4) have smaller electrochemical band gaps (1

  18. Photovoltaic restoration of sight with high visual acuity

    Science.gov (United States)

    Lorach, Henri; Goetz, Georges; Smith, Richard; Lei, Xin; Mandel, Yossi; Kamins, Theodore; Mathieson, Keith; Huie, Philip; Harris, James; Sher, Alexander; Palanker, Daniel

    2015-01-01

    Patients with retinal degeneration lose sight due to gradual demise of photoreceptors. Electrical stimulation of the surviving retinal neurons provides an alternative route for delivery of visual information. We demonstrate that subretinal arrays with 70 μm photovoltaic pixels provide highly localized stimulation, with electrical and visual receptive fields of comparable sizes in rat retinal ganglion cells. Similarly to normal vision, retinal response to prosthetic stimulation exhibits flicker fusion at high frequencies, adaptation to static images and non-linear spatial summation. In rats with retinal degeneration, these photovoltaic arrays provide spatial resolution of 64 ± 11 μm, corresponding to half of the normal visual acuity in pigmented rats. Ease of implantation of these wireless and modular arrays, combined with their high resolution opens the door to functional restoration of sight. PMID:25915832

  19. A Wide Band Gap Polymer with a Deep Highest Occupied Molecular Orbital Level Enables 14.2% Efficiency in Polymer Solar Cells.

    Science.gov (United States)

    Li, Sunsun; Ye, Long; Zhao, Wenchao; Yan, Hongping; Yang, Bei; Liu, Delong; Li, Wanning; Ade, Harald; Hou, Jianhui

    2018-05-21

    To simultaneously achieve low photon energy loss ( E loss ) and broad spectral response, the molecular design of the wide band gap (WBG) donor polymer with a deep HOMO level is of critical importance in fullerene-free polymer solar cells (PSCs). Herein, we developed a new benzodithiophene unit, i.e., DTBDT-EF, and conducted systematic investigations on a WBG DTBDT-EF-based donor polymer, namely, PDTB-EF-T. Due to the synergistic electron-withdrawing effect of the fluorine atom and ester group, PDTB-EF-T exhibits a higher oxidation potential, i.e., a deeper HOMO level (ca. -5.5 eV) than most well-known donor polymers. Hence, a high open-circuit voltage of 0.90 V was obtained when paired with a fluorinated small molecule acceptor (IT-4F), corresponding to a low E loss of 0.62 eV. Furthermore, side-chain engineering demonstrated that subtle side-chain modulation of the ester greatly influences the aggregation effects and molecular packing of polymer PDTB-EF-T. With the benefits of the stronger interchain π-π interaction, the improved ordering structure, and thus the highest hole mobility, the most symmetric charge transport and reduced recombination are achieved for the linear decyl-substituted PDTB-EF-T (P2)-based PSCs, leading to the highest short-circuit current density and fill factor (FF). Due to the high Flory-Huggins interaction parameter (χ), surface-directed phase separation occurs in the P2:IT-4F blend, which is supported by X-ray photoemission spectroscopy results and cross-sectional transmission electron microscope images. By taking advantage of the vertical phase distribution of the P2:IT-4F blend, a high power conversion efficiency (PCE) of 14.2% with an outstanding FF of 0.76 was recorded for inverted devices. These results demonstrate the great potential of the DTBDT-EF unit for future organic photovoltaic applications.

  20. The Van der Waals-force-induced phononic band gap and resonant scattering in two-nanosphere aggregate

    International Nuclear Information System (INIS)

    Wu Jiuhui; Zhang Siwen; Zhou Kejiang

    2012-01-01

    A physical mechanism of phononic band gap and resonant nanoacoustic scattering in an aggregate of two elastic nanospheres is presented in this paper. By considering the Van der Waals (VdW) force between two nanospheres illuminated by nanoacoustic wave, phononic band gap and frequency shift at the lower frequency side, and largely enhanced nanoacoustic scattering at the other frequency range have been found through calculating the form function of the acoustic scattering from the nanosystem. This VdW-force-induced band gap is different from the known mechanisms of Bragg scattering and local resonances for periodic media. It is shown that when the separation distance between two nanospheres is decreasing from 20 to 1 nm, due to the increasing VdW force, the nanoacoustic scattering is much heightened by two order of magnitude, and meanwhile the frequency shift and phononic band gap at the low frequencies are both widened. These results could provide potential applications of nanoacoustic devices.

  1. Suppressing band gap of MoS{sub 2} by the incorporation of four- and eight-membered rings

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Liyan; Zhang, Tingting, E-mail: ttzhang@hytc.edu.cn [Huaiyin Normal University, School of Physics and Electronic & Electrical Engineering, and Jiangsu Key Laboratory of Modern Measurement Technology and Intelligent Systems (China)

    2015-05-15

    A stable planar allotrope of MoS{sub 2}, formed by introducing four- and eight-membered rings into its hexagonal network (H468), is identified to be a narrow direct-band-gap semiconductor by first principle calculations, which is remarkably different from the large band gap semiconductor of conventional MoS{sub 2} and also the zero band gap allotrope consisting of four- and eight-membered rings (H48) only. The medium-sized direct band gap indicates that H468 would find applications in nanoelectronics and near-infrared optoelectronic devices. Furthermore, the distinctive simulated scanning tunneling microscope images under positive and negative biases might be a unique characteristic for the experimental identification of such an allotrope of MoS{sub 2}.

  2. Band gap opening in silicene on MgBr2(0001) induced by Li and Na

    KAUST Repository

    Zhu, Jiajie

    2014-11-12

    Silicene consists of a monolayer of Si atoms in a buckled honeycomb structure and is expected to be well compatible with the current Si-based technology. However, the band gap is strongly influenced by the substrate. In this context, the structural and electronic properties of silicene on MgBr2(0001) modified by Li and Na are investigated by first-principles calculations. Charge transfer from silicene (substrate) to substrate (silicene) is found for substitutional doping (intercalation). As compared to a band gap of 0.01 eV on the pristine substrate, strongly enhanced band gaps of 0.65 eV (substitutional doping) and 0.24 eV (intercalation) are achieved. The band gap increases with the dopant concentration.

  3. Research on the effects of geometrical and material uncertainties on the band gap of the undulated beam

    Science.gov (United States)

    Li, Yi; Xu, Yanlong

    2017-09-01

    Considering uncertain geometrical and material parameters, the lower and upper bounds of the band gap of an undulated beam with periodically arched shape are studied by the Monte Carlo Simulation (MCS) and interval analysis based on the Taylor series. Given the random variations of the overall uncertain variables, scatter plots from the MCS are used to analyze the qualitative sensitivities of the band gap respect to these uncertainties. We find that the influence of uncertainty of the geometrical parameter on the band gap of the undulated beam is stronger than that of the material parameter. And this conclusion is also proved by the interval analysis based on the Taylor series. Our methodology can give a strategy to reduce the errors between the design and practical values of the band gaps by improving the accuracy of the specially selected uncertain design variables of the periodical structures.

  4. Effect of ZnO on the Physical Properties and Optical Band Gap of Soda Lime Silicate Glass

    Science.gov (United States)

    Zaid, Mohd Hafiz Mohd; Matori, Khamirul Amin; Aziz, Sidek Hj. Abdul; Zakaria, Azmi; Ghazali, Mohd Sabri Mohd

    2012-01-01

    This manuscript reports on the physical properties and optical band gap of five samples of soda lime silicate (SLS) glass combined with zinc oxide (ZnO) that were prepared by a melting and quenching process. To understand the role of ZnO in this glass structure, the density, molar volume and optical band gaps were investigated. The density and absorption spectra in the Ultra-Violet-Visible (UV-Visible) region were recorded at room temperature. The results show that the densities of the glass samples increased as the ZnO weight percentage increased. The molar volume of the glasses shows the same trend as the density: the molar volume increased as the ZnO content increased. The optical band gaps were calculated from the absorption edge, and it was found that the optical band gap decreased from 3.20 to 2.32 eV as the ZnO concentration increased. PMID:22837711

  5. Temperature effects on the band gaps of Lamb waves in a one-dimensional phononic-crystal plate (L).

    Science.gov (United States)

    Cheng, Y; Liu, X J; Wu, D J

    2011-03-01

    This study investigates the temperature-tuned band gaps of Lamb waves in a one-dimensional phononic-crystal plate, which is formed by alternating strips of ferroelectric ceramic Ba(0.7)Sr(0.3)TiO(3) and epoxy. The sensitive and continuous temperature-tunability of Lamb wave band gaps is demonstrated using the analyses of the band structures and the transmission spectra. The width and position of Lamb wave band gaps shift prominently with variation of temperature in the range of 26 °C-50 °C. For example, the width of the second band gap increases from 0.066 to 0.111 MHz as the temperature is increased from 26 °C to 50 °C. The strong shift promises that the structure could be suitable for temperature-tuned multi-frequency Lamb wave filters. © 2011 Acoustical Society of America

  6. On the thickness dependence of both the optical band gap and reversible photodarkening in amorphous Ge-Se films.

    Czech Academy of Sciences Publication Activity Database

    Kutálek, P.; Tichý, Ladislav

    2016-01-01

    Roč. 619, 30 November (2016), s. 336-341 ISSN 0040-6090 Institutional support: RVO:61389013 Keywords : amorphous chalcogenides * thin films * optical band gap Subject RIV: CA - Inorganic Chemistry Impact factor: 1.879, year: 2016

  7. CHAPTER 3. High-performance Organic Photovoltaic Donor Polymers

    KAUST Repository

    Wadsworth, Andrew

    2017-11-08

    The field of organic photovoltaics has advanced a great deal over the last decade, with device efficiencies now exceeding 11%. A large part of this success can be attributed to the development of donor polymer materials, from their humble beginnings as homopolymers to the highly tuned push-pull copolymer and terpolymer materials that are now being reported on a regular basis. Through the careful use of chemical modification, it has been possible to design and synthesize a wide variety of donor polymers, allowing optimization of both the optoelectronic and structural properties of the materials. In doing so, more favourable active layer blends have been achieved and therefore significant improvements in device performance have been observed. Herein we discuss how the chemical design of donor polymers for organic photovoltaics has led to the emergence of high-performance materials.

  8. CHAPTER 3. High-performance Organic Photovoltaic Donor Polymers

    KAUST Repository

    Wadsworth, Andrew; Baran, Derya; Gorman, Jeffrey; McCulloch, Iain

    2017-01-01

    The field of organic photovoltaics has advanced a great deal over the last decade, with device efficiencies now exceeding 11%. A large part of this success can be attributed to the development of donor polymer materials, from their humble beginnings as homopolymers to the highly tuned push-pull copolymer and terpolymer materials that are now being reported on a regular basis. Through the careful use of chemical modification, it has been possible to design and synthesize a wide variety of donor polymers, allowing optimization of both the optoelectronic and structural properties of the materials. In doing so, more favourable active layer blends have been achieved and therefore significant improvements in device performance have been observed. Herein we discuss how the chemical design of donor polymers for organic photovoltaics has led to the emergence of high-performance materials.

  9. Incorporation of ester groups into low band-gap diketopyrrolopyrrole containing polymers for solar cell applications

    DEFF Research Database (Denmark)

    Hu, Xiaolian; Zuo, Lijian; Fu, Weifei

    2012-01-01

    To increase the open circuit voltage (VOC) of polymer solar cells based on diketopyrrolopyrrole (DPP) containing polymers, the weakly electron-withdrawing thiophene-3,4-dicarboxylate unit was introduced into the polymer backbone. Two ester group functionalized DPP containing polymers, PCTDPP...... with a random structure and PDCTDPP with a regular structure, were designed and synthesized by the Stille coupling reaction. The resulting copolymers exhibit broad and strong absorption bands from 350 to 1000 nm with low optical band gaps below 1.40 eV. Through cyclic voltammetry measurements, it is found...

  10. Photonic band gap structures for long-range surface plasmon polaritons

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Boltasseva, Alexandra; Søndergaard, Thomas

    2005-01-01

    Propagation of long-range surface plasmon polaritons (LR-SPPs) along periodically thickness-modulated metal stripes embedded in dielectric is studied both theoretically and experimentally for light wavelengths in the telecom range. We demonstrate that symmetric (with respect to the film surface) nm......-size thickness variations result in the pronounced band gap effect, and obtain very good agreement between measured and simulated (transmission and reflection) spectra. This effect is exploited to realize a compact wavelength add-drop filter with the bandwidth of ~20 nm centered at 1550 nm. The possibilities...

  11. Acoustic beam splitting in a sonic crystal around a directional band gap

    International Nuclear Information System (INIS)

    Cicek Ahmet; Kaya Olgun Adem; Ulug Bulent

    2013-01-01

    Beam splitting upon refraction in a triangular sonic crystal composed of aluminum cylinders in air is experimentally and numerically demonstrated to occur due to finite source size, which facilitates circumvention of a directional band gap. Experiments reveal that two distinct beams emerge at crystal output, in agreement with the numerical results obtained through the finite-element method. Beam splitting occurs at sufficiently-small source sizes comparable to lattice periodicity determined by the spatial gap width in reciprocal space. Split beams propagate in equal amplitude, whereas beam splitting is destructed for oblique incidence above a critical incidence angle

  12. Incorporation of Furan into Low Band-Gap Polymers for Efficient Solar Cells

    KAUST Repository

    Woo, Claire H.; Beaujuge, Pierre M.; Holcombe, Thomas W.; Lee, Olivia P.; Fréchet, Jean M. J.

    2010-01-01

    The design, synthesis, and characterization of the first examples of furan-containing low band-gap polymers, PDPP2FT and PDPP3F, with substantial power conversion efficiencies in organic solar cells are reported. Inserting furan moieties in the backbone of the conjugated polymers enables the use of relatively small solubilizing side chains because of the significant contribution of the furan rings to overall polymer solubility in common organic solvents. Bulk heterojunction solar cells fabricated from furan-containing polymers and PC71BM as the acceptor showed power conversion efficiencies reaching 5.0%. © 2010 American Chemical Society.

  13. Incorporation of Furan into Low Band-Gap Polymers for Efficient Solar Cells

    KAUST Repository

    Woo, Claire H.

    2010-11-10

    The design, synthesis, and characterization of the first examples of furan-containing low band-gap polymers, PDPP2FT and PDPP3F, with substantial power conversion efficiencies in organic solar cells are reported. Inserting furan moieties in the backbone of the conjugated polymers enables the use of relatively small solubilizing side chains because of the significant contribution of the furan rings to overall polymer solubility in common organic solvents. Bulk heterojunction solar cells fabricated from furan-containing polymers and PC71BM as the acceptor showed power conversion efficiencies reaching 5.0%. © 2010 American Chemical Society.

  14. Band gap depiction of quaternary FeMnTiAl alloy using Hubbard (U) potential

    Science.gov (United States)

    Bhat, Tahir Mohiuddin; Yousuf, Saleem; Khandy, Shakeel Ahmad; Gupta, Dinesh C.

    2018-05-01

    We have employed self-consistent ab-initio calculations to investigate new quaternary alloy FeMnTiAl by applying Hubbard potential (U). The alloy is found to be stable in ferromagnetic phase with cubic structure. The alloy shows half-metallic (HM) ferromagnet character. The values of minority band gap FeMnTiAl are found to be 0.33 eV respectively. Electronic charge density reveals that both types of bonds covalent as well as ionic are present in the alloy. Thus the new quaternary alloy can be proved as vital contender for spin valves and spin generator devices.

  15. Chemical synthesis of Cd-free wide band gap materials for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Sankapal, B.R.; Sartale, S.D.; Ennaoui, A. [Hahn-Meitner-Institut, Berlin (Germany). Department of Solar Energy Research; Lokhande, C.D. [Shivaji University, Kolhapur (India). Department of Physics

    2004-07-01

    Chemical methods are nowadays very attractive, since they are relatively simple, low cost and convenient for larger area deposition of thin films. In this paper, we outline our work related to the synthesis and characterization of some wide band gap semiconducting material thin films prepared by using solution methods, namely, chemical bath deposition and successive ionic layer adsorption and reaction (SILAR). The optimum preparative parameters are given and respective structural, surface morphological, compositional, optical, and electrical properties are described. Some materials we used in solar cells as buffer layers and achieved remarkable results, which are summarized. (author)

  16. Band gap opening and optical absorption enhancement in graphene using ZnO nanocluster

    Science.gov (United States)

    Monshi, M. M.; Aghaei, S. M.; Calizo, I.

    2018-05-01

    Electronic, optical and transport properties of the graphene/ZnO heterostructure have been explored using first-principles density functional theory. The results show that Zn12O12 can open a band gap of 14.5 meV in graphene, increase its optical absorption by 1.67 times covering the visible spectrum which extends to the infra-red (IR) range, and exhibits a slight non-linear I-V characteristic depending on the applied bias. These findings envisage that a graphene/Zn12O12 heterostructure can be appropriate for energy harvesting, photodetection, and photochemical devices.

  17. Strain- and electric field-induced band gap modulation in nitride nanomembranes

    International Nuclear Information System (INIS)

    Amorim, Rodrigo G; Zhong Xiaoliang; Mukhopadhyay, Saikat; Pandey, Ravindra; Rocha, Alexandre R; Karna, Shashi P

    2013-01-01

    The hexagonal nanomembranes of the group III-nitrides are a subject of interest due to their novel technological applications. In this paper, we investigate the strain- and electric field-induced modulation of their band gaps in the framework of density functional theory. For AlN, the field-dependent modulation of the bandgap is found to be significant whereas the strain-induced semiconductor-metal transition is predicted for GaN. A relatively flat conduction band in AlN and GaN nanomembranes leads to an enhancement of their electronic mobility compared to that of their bulk counterparts. (paper)

  18. Analysis of photonic band-gap (PBG) structures using the FDTD method

    DEFF Research Database (Denmark)

    Tong, M.S.; Cheng, M.; Lu, Y.L.

    2004-01-01

    In this paper, a number of photonic band-gap (PBG) structures, which are formed by periodic circuit elements printed oil transmission-line circuits, are studied by using a well-known numerical method, the finite-difference time-domain (FDTD) method. The results validate the band-stop filter...... behavior of these structures, and the computed results generally match well with ones published in the literature. It is also found that the FDTD method is a robust, versatile, and powerful numerical technique to perform such numerical studies. The proposed PBG filter structures may be applied in microwave...

  19. Observation of large photonic band gaps and defect modes in one-dimensional networked waveguides

    CERN Document Server

    Mir, A; Vasseur, J O; Djafari-Rouhani, B; Fettouhi, N; Boudouti, E H E; Dobrzynski, L; Zemmouri, J

    2003-01-01

    The photonic band structures and transmission spectra of serial loop structures (SLSs), made of loops pasted together with segments of finite length, are investigated experimentally and theoretically. These monomode structures, composed of one-dimensional dielectric materials, may exhibit large stop bands where the propagation of electromagnetic waves is forbidden. The width of these band gaps depends on the geometrical and compositional parameters of the structure and may be drastically increased in a tandem geometry made up of several successive SLSs which differ in their physical characteristics. These SLSs may have potential applications as ultrawide-band filters.

  20. The determination of the conduction mechanism and optical band gap of fluorescein sodium salt

    International Nuclear Information System (INIS)

    Yakuphanoglu, Fahrettin; Sekerci, Memet; Evin, Ertan

    2006-01-01

    The electrical conductivity and optical properties of fluorescein sodium salt in the temperature range of 295-370 K have been investigated. Various conduction models described in the literature were used to elucidate the charge transport mechanism of the compound. It is found that the charge transfer mechanism of the compound is understood in terms of grain boundary scattering. It can be evaluated that the obtained electronic parameters such as mobility, conductivity at room temperature, activation energy and optical band gap suggest that the compound is an organic semiconductor

  1. Photonic-band-gap engineering for volume plasmon polaritons in multiscale multilayer hyperbolic metamaterials

    DEFF Research Database (Denmark)

    Zhukovsky, Sergei; Orlov, Alexey A.; Babicheva, Viktoriia E.

    2014-01-01

    ) on a larger, wavelength scale, the propagation of volume plasmon polaritons in the resulting multiscale hyperbolic metamaterials is subject to photonic-band-gap phenomena. A great degree of control over such plasmons can be exerted by varying the superstructure geometry. When this geometry is periodic, stop......, fractal Cantor-like multiscale metamaterials are found to exhibit characteristic self-similar spectral signatures in the volume plasmonic band. Multiscale hyperbolic metamaterials are shown to be a promising platform for large-wave-vector bulk plasmonic waves, whether they are considered for use as a kind...

  2. Robust band gap and half-metallicity in graphene with triangular perforations

    DEFF Research Database (Denmark)

    Gregersen, Søren Schou; Power, Stephen; Jauho, Antti-Pekka

    2016-01-01

    . The inclusion of spin polarization within a mean-field Hubbard approach gives rise to a large overall magnetic moment at each antidot due to the sublattice imbalance imposed by the triangular geometry. Half-metallic behavior arises from the formation of spin-split dispersive states near the Fermi energy...... disorders. Here we study a rectangular array of triangular antidots with zigzag edge geometries and show that their band gap behavior qualitatively differs from the standard behavior which is exhibited, e.g., by rectangular arrays of armchair-edged triangles. In the spin unpolarized case, zigzag......, and furthermore, of exploiting the strong spin dependence of the system for spintronic applications....

  3. Role of the Band Gap for the Interaction Energy of Coadsorbed Fragments

    DEFF Research Database (Denmark)

    Castelli, Ivano Eligio; Man, Isabela-Costinela; Soriga, Stefan-Gabriel

    2017-01-01

    on semiconductors. We propose here a correlation between the cooperative interaction energy, i.e., the energy difference between the adsorption energies of coadsorbed electron donor–acceptor pair and isolated fragments and the band gap of the clean oxide surface. We demonstrate this effect for a number of oxides...... and donor–acceptor pairs and explain it with the shift in the Fermi level before and after the adsorption. The conclusion is that the adsorption of acceptor–donor pairs is considerably more favorable compared to unpaired fragments,and this energy difference is approximately equal to the value of the band...

  4. Nonclassical-light generation in a photonic-band-gap nonlinear planar waveguide

    International Nuclear Information System (INIS)

    Perina, Jan Jr.; Sibilia, Concita; Tricca, Daniela; Bertolotti, Mario

    2004-01-01

    The optical parametric process occurring in a photonic-band-gap planar waveguide is studied from the point of view of nonclassical-light generation. The nonlinearly interacting optical fields are described by the generalized superposition of coherent signals and noise using the method of operator linear corrections to a classical strong solution. Scattered backward-propagating fields are taken into account. Squeezed light as well as light with sub-Poissonian statistics can be obtained in two-mode fields under the specified conditions

  5. Mode multiplexing at 2×20Gbps over 19-cell hollow-core photonic band gap fibre

    DEFF Research Database (Denmark)

    Carpenter, Joel; Xu, Jing; Peucheret, Christophe

    2012-01-01

    This paper demonstrates the first mode-multiplexed system over 19-cell hollow-core photonic band gap fibre, at 2×20Gbps using the LP0,1 and LP2,1-like modes.......This paper demonstrates the first mode-multiplexed system over 19-cell hollow-core photonic band gap fibre, at 2×20Gbps using the LP0,1 and LP2,1-like modes....

  6. Quasiparticle self-consistent GW theory of III-V nitride semiconductors: Bands, gap bowing, and effective masses

    DEFF Research Database (Denmark)

    Svane, Axel; Christensen, Niels Egede; Gorczyca, I.

    2010-01-01

    on the basis of the local approximation to density functional theory, although generally overestimated by 0.2–0.3 eV in comparison with experimental gap values. Details of the electronic energies and the effective masses including their pressure dependence are compared with available experimental information....... The band gap of InGaN2 is considerably smaller than what would be expected by linear interpolation implying a significant band gap bowing in InGaN alloys....

  7. Optical band gap demarcation around 2.15 eV depending on preferred orientation growth in red HgI{sub 2} films

    Energy Technology Data Exchange (ETDEWEB)

    Tyagi, Pankaj, E-mail: pankajtyagicicdu@gmail.com

    2017-04-01

    Thermally evaporated stoichiometric films of red HgI{sub 2} show preferred orientation growth with either (102) or (002) orientation. The as grown films shows a change from one preferred orientation to another depending on their thickness, open-air heat-treatment and in-situ heat treatment of films. The in-situ heat-treatment of thermally evaporated stoichiometric films of red HgI{sub 2} with preferred growth of (102) orientation shows a gradual linear decrease in film thickness with in-situ heat-treatment temperature. On in-situ heat-treatment above 80 °C, it is found that HgI{sub 2} films become thinner than 900 nm, which are otherwise difficult to grow due to high vapor pressure of HgI{sub 2}. For these films the preferred orientation also changed from (102) to (002). The optical band gap (E{sub g}) also found to increase linearly with in-situ heat-treatment temperature. It is interesting to note that in-situ heat-treated films having (002) orientation had higher values of optical band gap than (102) orientation films. On combining these results with those of as grown and open-air heat-treated red HgI{sub 2} films reported in the literature, it is evident that there exists an optical band gap demarcation around 2.15 eV for red HgI{sub 2} thin films depending on their preferred orientation growth. Films with (102) orientation are found to have optical band gap less than 2.15 eV and those with (002) orientation are found to have optical band gap more than 2.15 eV. This is irrespective of the physical mean of obtaining the preferred orientation. The preferred orientation can be achieved by either physical means such as growing films with higher thickness, heat-treating them for short duration in open air or heat-treating them in-situ.

  8. High-performance polymer photovoltaic cells and photodetectors

    Science.gov (United States)

    Yu, Gang; Srdanov, Gordana; Wang, Hailiang; Cao, Yong; Heeger, Alan J.

    2001-02-01

    Polymer photovoltaic cells and photodetectors have passed their infancy and become mature technologies. The energy conversion efficiency of polymer photovoltaic cells have been improved to over 4.1% (500 nm, 10 mW/cm2). Such high efficiency polymer photovoltaic cells are promising for many applications including e-papers, e-books and smart- windows. The development of polymer photodetectors is even faster. The performance parameters have been improved to the level meeting all specifications for practical applications. The polymer photodetectors are of high photosensitivity (approximately 0.2 - 0.3 A/Watt in visible and UV), low dark current (0.1 - 1 nA/cm2), large dynamic range (> 8 orders of magnitude), linear intensity dependence, low noise level and fast response time (to nanosecond time domain). These devices show long shelf and operation lives. The advantages of low manufacturing cost, large detection area, and easy hybridization and integration with other electronic or optical components make the polymer photodetectors promising for a variety of applications including chemical/biomedical analysis, full-color digital image sensing and high energy radiation detection.

  9. Towards High Performance Organic Photovoltaic Cells: A Review of Recent Development in Organic Photovoltaics

    Directory of Open Access Journals (Sweden)

    Junsheng Yu

    2014-09-01

    Full Text Available Organic photovoltaic cells (OPVs have been a hot topic for research during the last decade due to their promising application in relieving energy pressure and environmental problems caused by the increasing combustion of fossil fuels. Much effort has been made toward understanding the photovoltaic mechanism, including evolving chemical structural motifs and designing device structures, leading to a remarkable enhancement of the power conversion efficiency of OPVs from 3% to over 15%. In this brief review, the advanced progress and the state-of-the-art performance of OPVs in very recent years are summarized. Based on several of the latest developed approaches to accurately detect the separation of electron-hole pairs in the femtosecond regime, the theoretical interpretation to exploit the comprehensive mechanistic picture of energy harvesting and charge carrier generation are discussed, especially for OPVs with bulk and multiple heterojunctions. Subsequently, the novel structural designs of the device architecture of OPVs embracing external geometry modification and intrinsic structure decoration are presented. Additionally, some approaches to further increase the efficiency of OPVs are described, including thermotics and dynamics modification methods. Finally, this review highlights the challenges and prospects with the aim of providing a better understanding towards highly efficient OPVs.

  10. Optoelectronic Characterization by Advanced Ab-Initio Methods of Novel Photovoltaic Intermediate Band Materials = Caracterización optoelectrónica por métodos ab-initio avanzados de nuevos materiales fotovoltaicos de banda intermedia

    OpenAIRE

    Aguilera Bonet, Irene

    2011-01-01

    Intermediate-band materials represent nowadays one of the most promising proposals in the quest for more efficient, lower-cost solar cells. In this thesis we present a deep study of transition-metal substituted semiconductors based on their optoelectronic properties. These materials were proposed as high efficiency photovoltaic absorbers for intermediate-band solar cells for showing a partiallyfilled band placed inside the band gap of the parent semiconductor which enables the absorption of p...

  11. The chemical composition and band gap of amorphous Si:C:N:H layers

    Energy Technology Data Exchange (ETDEWEB)

    Swatowska, Barbara, E-mail: swatow@agh.edu.pl [AGH University of Science and Technology, Department of Electronics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Kluska, Stanislawa; Jurzecka-Szymacha, Maria [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Stapinski, Tomasz [AGH University of Science and Technology, Department of Electronics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Tkacz-Smiech, Katarzyna [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Av. 30, 30-059 Krakow (Poland)

    2016-05-15

    Highlights: • Six type of amorphous hydrogenated films were obtained and analysed. • Investigated chemical bondings strongly influenced energy gap values. • Analysed layers could be applied as semiconductors and also as dielectrics. - Abstract: In this work we presented the correlation between the chemical composition of amorphous Si:C:N:H layers of various content of silicon, carbon and nitrogen, and their band gap. The series of amorphous Si:C:N:H layers were obtained by plasma assisted chemical vapour deposition method in which plasma was generated by RF (13.56 MHz, 300 W) and MW (2.45 GHz, 2 kW) onto monocrystalline silicon Si(001) and borosilicate glass. Structural studies were based on FTIR transmission spectrum registered within wavenumbers 400–4000 cm{sup −1}. The presence of Si−C, Si−N, C−N, C=N, C=C, C≡N, Si−H and C−H bonds was shown. The values band gap of the layers have been determined from spectrophotometric and ellipsometric measurements. The respective values are contained in the range between 1.64 eV – characteristic for typical semiconductor and 4.21 eV – for good dielectric, depending on the chemical composition and atomic structure of the layers.

  12. Calculating the optical properties of defects and surfaces in wide band gap materials

    Science.gov (United States)

    Deák, Peter

    2018-04-01

    The optical properties of a material critically depend on its defects, and understanding that requires substantial and accurate input from theory. This paper describes recent developments in the electronic structure theory of defects in wide band gap materials, where the standard local or semi-local approximations of density functional theory fail. The success of the HSE06 screened hybrid functional is analyzed in case of Group-IV semiconductors and TiO2, and shown that it is the consequence of error compensation between semi-local and non-local exchange, resulting in a proper derivative discontinuity (reproduction of the band gap) and a total energy which is a linear function of the fractional occupation numbers (removing most of the electron self-interaction). This allows the calculation of electronic transitions with accuracy unseen before, as demonstrated on the single-photon emitter NV(-) center in diamond and on polaronic states in TiO2. Having a reliable tool for electronic structure calculations, theory can contribute to the understanding of complicated cases of light-matter interaction. Two examples are considered here: surface termination effects on the blinking and bleaching of the light-emission of the NV(-) center in diamond, and on the efficiency of photocatalytic water-splitting by TiO2. Finally, an outlook is presented for the application of hybrid functionals in other materials, as, e.g., ZnO, Ga2O3 or CuGaS2.

  13. Numerical investigation of band gaps in 3D printed cantilever-in-mass metamaterials

    Science.gov (United States)

    Qureshi, Awais; Li, Bing; Tan, K. T.

    2016-06-01

    In this research, the negative effective mass behavior of elastic/mechanical metamaterials is exhibited by a cantilever-in-mass structure as a proposed design for creating frequency stopping band gaps, based on local resonance of the internal structure. The mass-in-mass unit cell model is transformed into a cantilever-in-mass model using the Bernoulli-Euler beam theory. An analytical model of the cantilever-in-mass structure is derived and the effects of geometrical dimensions and material parameters to create frequency band gaps are examined. A two-dimensional finite element model is created to validate the analytical results, and excellent agreement is achieved. The analytical model establishes an easily tunable metamaterial design to realize wave attenuation based on locally resonant frequency. To demonstrate feasibility for 3D printing, the analytical model is employed to design and fabricate 3D printable mechanical metamaterial. A three-dimensional numerical experiment is performed using COMSOL Multiphysics to validate the wave attenuation performance. Results show that the cantilever-in-mass metamaterial is capable of mitigating stress waves at the desired resonance frequency. Our study successfully presents the use of one constituent material to create a 3D printed cantilever-in-mass metamaterial with negative effective mass density for stress wave mitigation purposes.

  14. The study of response of wide band gap semiconductor detectors using the Geant4

    Directory of Open Access Journals (Sweden)

    Hussain Riaz

    2014-01-01

    Full Text Available The energy dependence on the intrinsic efficiency, absolute efficiency, full energy peak absolute efficiency and peak-to-total ratio have been studied for various wide band gap semiconductor detectors using the Geant4 based Monte Carlo simulations. The detector thickness of 1-4 mm and the area in 16-100 mm2 range were considered in this work. In excellent agreement with earlier work (Rybka et al., [20], the Geant4 simulated values of detector efficiencies have been found to decrease with incident g-ray energy. Both for the detector thickness and the detector area, the increasing trends have been observed for total efficiency as well as for full-energy peak efficiency in 0.1 MeV-50 MeV range. For Cd1-xZnxTe, the detector response remained insensitive to changes in relative proportions of Zn. For various wide band gap detectors studied in this work, the detection efficiency of TlBr was found highest over the entire range of energy, followed by the HgI2, CdTe, and then by CZT.

  15. Electronic band-gap modified passive silicon optical modulator at telecommunications wavelengths.

    Science.gov (United States)

    Zhang, Rui; Yu, Haohai; Zhang, Huaijin; Liu, Xiangdong; Lu, Qingming; Wang, Jiyang

    2015-11-13

    The silicon optical modulator is considered to be the workhorse of a revolution in communications. In recent years, the capabilities of externally driven active silicon optical modulators have dramatically improved. Self-driven passive modulators, especially passive silicon modulators, possess advantages in compactness, integration, low-cost, etc. Constrained by a large indirect band-gap and sensitivity-related loss, the passive silicon optical modulator is scarce and has been not advancing, especially at telecommunications wavelengths. Here, a passive silicon optical modulator is fabricated by introducing an impurity band in the electronic band-gap, and its nonlinear optics and applications in the telecommunications-wavelength lasers are investigated. The saturable absorption properties at the wavelength of 1.55 μm was measured and indicates that the sample is quite sensitive to light intensity and has negligible absorption loss. With a passive silicon modulator, pulsed lasers were constructed at wavelengths at 1.34 and 1.42 μm. It is concluded that the sensitive self-driven passive silicon optical modulator is a viable candidate for photonics applications out to 2.5 μm.

  16. Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

    Science.gov (United States)

    Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

    2015-06-18

    We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

  17. Impact of substrate on performance of band gap engineered graphene field effect transistor

    Science.gov (United States)

    Tiwari, Durgesh Laxman; Sivasankaran, K.

    2018-01-01

    In this paper, we investigate the graphene field effect transistor (G-FET) to enhance the drain current saturation and to minimize the drain conductance (gd) using numerical simulation. This work focus on suppressing the drain conductance using silicon substrate. We studied the impact of different substrate on the performance of band gap engineered G-FET device. We used a non-equilibrium green function with mode space (NEGF_MS) to model the transport behavior of carriers for 10 nm channel length G-FET device. We compared the drain current saturation of G-FET at higher drain voltage regime on silicon, SiC, and the SiO2 substrate. This paper clearly demonstrates the effect of substrate on an electric field near drain region of G-FET device. It is shown that the substrate of G-FET is not only creating a band gap in graphene, which is important for current saturation and gd minimization, but also selection of suitable substrate can suppress generation of carrier concentration near drain region is also important.

  18. Revisiting the coupled-mass system and analogy with a simple band gap structure

    International Nuclear Information System (INIS)

    Levesque, L

    2006-01-01

    A great deal of insight can be gained from the analysis of coupled masses connected to springs in order to understand better the origin of band gaps in physical systems. The approach is based on the application of the superposition principle for finding the general solution in simple mechanical systems involving functions, which vary periodically with time. Graphs show that sums of periodic functions oscillating at different frequencies lead to an exchange of energy from one oscillator to another in a simple mechanical system of three objects connected by identical springs. A system of a large number of masses connected to springs having the same spring constant K is then considered and compared with a system in which the spring constants alternate from K to another value G when connecting one mass to another. Using the results found from the mechanical systems, an analogy of charge oscillations excited on both uniform and corrugated surfaces is presented. The results obtained attempt to expand understanding of the origin of the band gap occurring in some systems involving periodic motions

  19. Correlation between the band gap expansion and melting temperature depression of nanostructured semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jianwei, E-mail: jwl189@163.com; Zhao, Xinsheng [Laboratory for Quantum Design of Functional Material, School of Physics and Electronic Engineering, Jiangsu Normal University, Xuzhou 221116 (China); Liu, Xinjuan [Center for Coordination Bond and Electronic Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Zheng, Xuejun [School of Mechanical Engineering, Xiangtan University, Xiangtan, Hunan 411105 (China); Yang, Xuexian [Department of Physics, Jishou University, Jishou 416000, Hunan (China); Zhu, Zhe [School of Materials Science and Engineering, Xiangtan University, Xiangtan, Hunan 411105 (China)

    2015-09-28

    The band gap and melting temperature of a semiconductor are tunable with the size and shape of the specimen at the nanometer scale, and related mechanisms remain as yet unclear. In order to understand the common origin of the size and shape effect on these two seemingly irrelevant properties, we clarify, correlate, formulate, and quantify these two properties of GaAs, GaN, InP, and InN nanocrystals from the perspectives of bond order-length-strength correlation using the core-shell configuration. The consistency in the theoretical predictions, experimental observations, and numerical calculations verify that the broken-bond-induced local bond contraction and strength gain dictates the band gap expansion, while the atomic cohesive energy loss due to bond number reduction depresses the melting point. The fraction of the under-coordinated atoms in the skin shell quantitatively determines the shape and size dependency. The atomic under-coordination in the skin down to a depth of two atomic layers inducing a change in the local chemical bond is the common physical origin.

  20. Optical band gap and spectroscopic study of lithium alumino silicate glass containing Y3+ ions.

    Science.gov (United States)

    Shakeri, M S; Rezvani, M

    2011-09-01

    The effect of different amounts of Y2O3 dopant on lithium alumino silicate (LAS) glass has been studied in this work. Glasses having 14.8Li2O-20Al2O3-65.2SiO2 (wt%) composition accompanied with Y2O3 dopant were prepared by normal melting process. In order to calculate the absorption coefficient of samples, transmittance and reflectance spectra of polished samples were measured in the room temperature. Optical properties i.e. Fermi energy level, direct and indirect optical band gaps and Urbach energy were calculated using functionality of extinction coefficient from Fermi-Dirac distribution function, Tauc's plot and the exponential part of absorption coefficient diagram, respectively. It has been clarified that variation in mentioned optical parameters is associated with the changes in physical properties of samples i.e. density or molar mass. On the other hand, increasing of Y3+ ions in the glassy microstructure of samples provides a semiconducting character to LAS glass by reducing the direct and indirect optical band gaps of glass samples from 1.97 to 1.67 and 3.46 to 2.1 (eV), respectively. These changes could be attributed to the role of Y3+ ions as the network former in the track of SiO4 tetrahedrals. Copyright © 2011 Elsevier B.V. All rights reserved.

  1. Band-gap tunability and dynamical instability in strained monolayer and bilayer phosphorenes

    International Nuclear Information System (INIS)

    Huang, G Q; Xing, Z W

    2015-01-01

    Very recently, field-effect transistors based on few-layer phosphorene crystals with a thickness of down to a few nanometres were successfully fabricated, triggering interest in this new functional two-dimensional material. In this work, we apply first-principles calculations to studying the evolution of electronic and phononic structures with out-of-plane strain for monolayer and bilayer phosphorenes. It is found that the vertical stress can be used to tune the band gap of a semiconducting phosphorene in a wide range. On the other hand, the vertical stress can make the phosphorene lattice become dynamically unstable and surface reconstruction or structural phase transition may occur. Due to the interlayer van der Waals coupling, the dynamically stable range of bilayer phosphorene under vertical stress is wider than that of monolayer phosphorene. It is proposed whether or not a semiconductor-semimetal transition occurring in a strained phosphorene is determined not only by its band gap closing, but also by its lattice stability against strain. This information is essential for the strain engineering of phosphorene and future device fabrication. (paper)

  2. Understanding band gaps of solids in generalized Kohn-Sham theory.

    Science.gov (United States)

    Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

    2017-03-14

    The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.

  3. Synthesis of Acenaphthyl and Phenanthrene Based Fused-Aromatic Thienopyrazine Co-Polymers for Photovoltaic and Thin Film Transistor Applications

    KAUST Repository

    Mondal, Rajib

    2009-08-11

    Dithiophene and fluorene co-polymers containing fused aromatic thieno[3,4-b]pyrazine moieties were synthesized for organic thin film transistor (OTFT) and organic photovoltaic (OPV) applications. Suzuki and Stille polycondensation reactions were used for the polymerization. The band gap (Eg) of the polymers was tuned in the range of 1.15-1.6 eV to match the solar spectrum. Density functional theory calculations were carried out to rationalize the low band gaps. These polymers showed field effect mobility (μ) as high as 0.2 cm2/(V.s) with an on/off ratio as high as 106 in OTFT devices. Interestingly, one polymer in this class also showed ambipolar charge transport. Power conversion efficiency (PCE) up to 1.3% was achieved in bulk heterojunction solar cells, indicating that these materials are promising for OPV applications. © 2009 American Chemical Society.

  4. Multiscale approaches to high efficiency photovoltaics

    Directory of Open Access Journals (Sweden)

    Connolly James Patrick

    2016-01-01

    Full Text Available While renewable energies are achieving parity around the globe, efforts to reach higher solar cell efficiencies becomes ever more difficult as they approach the limiting efficiency. The so-called third generation concepts attempt to break this limit through a combination of novel physical processes and new materials and concepts in organic and inorganic systems. Some examples of semi-empirical modelling in the field are reviewed, in particular for multispectral solar cells on silicon (French ANR project MultiSolSi. Their achievements are outlined, and the limits of these approaches shown. This introduces the main topic of this contribution, which is the use of multiscale experimental and theoretical techniques to go beyond the semi-empirical understanding of these systems. This approach has already led to great advances at modelling which have led to modelling software, which is widely known. Yet, a survey of the topic reveals a fragmentation of efforts across disciplines, firstly, such as organic and inorganic fields, but also between the high efficiency concepts such as hot carrier cells and intermediate band concepts. We show how this obstacle to the resolution of practical research obstacles may be lifted by inter-disciplinary cooperation across length scales, and across experimental and theoretical fields, and finally across materials systems. We present a European COST Action “MultiscaleSolar” kicking off in early 2015, which brings together experimental and theoretical partners in order to develop multiscale research in organic and inorganic materials. The goal of this defragmentation and interdisciplinary collaboration is to develop understanding across length scales, which will enable the full potential of third generation concepts to be evaluated in practise, for societal and industrial applications.

  5. Fullerene-Free Organic Solar Cells with an Efficiency of 10.2% and an Energy Loss of 0.59 eV Based on a Thieno[3,4-c]Pyrrole-4,6-dione-Containing Wide Band Gap Polymer Donor.

    Science.gov (United States)

    Hadmojo, Wisnu Tantyo; Wibowo, Febrian Tri Adhi; Ryu, Du Yeol; Jung, In Hwan; Jang, Sung-Yeon

    2017-09-27

    Although the combination of wide band gap polymer donors and narrow band gap small-molecule acceptors achieved state-of-the-art performance as bulk heterojunction (BHJ) active layers for organic solar cells, there have been only several of the wide band gap polymers that actually realized high-efficiency devices over >10%. Herein, we developed high-efficiency, low-energy-loss fullerene-free organic solar cells using a weakly crystalline wide band gap polymer donor, PBDTTPD-HT, and a nonfullerene small-molecule acceptor, ITIC. The excessive intermolecular stacking of ITIC is efficiently suppressed by the miscibility with PBDTTPD-HT, which led to a well-balanced nanomorphology in the PBDTTPD-HT/ITIC BHJ active films. The favorable optical, electronic, and energetic properties of PBDTTPD-HT with respect to ITIC achieved panchromatic photon-to-current conversion with a remarkably low energy loss (0.59 eV).

  6. Hybrid functional band gap calculation of SnO{sub 6} containing perovskites and their derived structures

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hyewon [Department of Physics, Pusan National University, Pusan 609-735, Republic of South Korea (Korea, Republic of); Cheong, S.W. [Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854 (United States); Kim, Bog G., E-mail: boggikim@pusan.ac.kr [Department of Physics, Pusan National University, Pusan 609-735, Republic of South Korea (Korea, Republic of)

    2015-08-15

    We have studied the properties of SnO{sub 6} octahedra-containing perovskites and their derived structures using ab initio calculations with different density functionals. In order to predict the correct band gap of the materials, we have used B3LYP hybrid density functional, and the results of B3LYP were compared with those obtained using the local density approximation and generalized gradient approximation data. The calculations have been conducted for the orthorhombic ground state of the SnO{sub 6} containing perovskites. We also have expended the hybrid density functional calculation to the ASnO{sub 3}/A'SnO{sub 3} system with different cation orderings. We propose an empirical relationship between the tolerance factor and the band gap of SnO{sub 6} containing oxide materials based on first principles calculation. - Graphical abstract: (a) Structure of ASnO{sub 3} for orthorhombic ground state. The green ball is A (Ba, Sr, Ca) cation and the small (red) ball on edge is oxygen. SnO{sub 6} octahedrons are plotted as polyhedron. (b) Band gap of ASnO{sub 3} as a function of the tolerance factor for different density functionals. The experimental values of the band gap are marked as green pentagons. (c) ASnO{sub 3}/A'SnO{sub 3} superlattices with two types cation arrangement: [001] layered structure and [111] rocksalt structure, respectively. (d) B3LYP hybrid functional band gaps of ASnO{sub 3}, [001] ordered superlattices, and [111] ordered superlattices of ASnO{sub 3}/A'SnO{sub 3} as a function of the effective tolerance factor. Note the empirical linear relationship between the band gap and effective tolerance factor. - Highlights: • We report the hybrid functional band gap calculation of ASnO{sub 3} and ASnO{sub 3}/A'SnO{sub 3}. • The band gap of ASnO{sub 3} using B3LYP functional reproduces the experimental value. • We propose the linear relationship between the tolerance factor and the band gap.

  7. Forbidden energy band gap in diluted a-Ge{sub 1-x}Si{sub x}:N films

    Energy Technology Data Exchange (ETDEWEB)

    Guarneros, C.; Rebollo-Plata, B. [Posgrado en Fisica Aplicada, Facultad de Ciencias Fisico-Matematicas, Benemerita Universidad Autonoma de Puebla, Blvd. 14 Sur 6301, Col. San Manuel, 72570, Puebla (Mexico); Lozada-Morales, R., E-mail: rlozada@fcfm.buap.mx [Posgrado en Fisica Aplicada, Facultad de Ciencias Fisico-Matematicas, Benemerita Universidad Autonoma de Puebla, Blvd. 14 Sur 6301, Col. San Manuel, 72570, Puebla (Mexico); Espinosa-Rosales, J.E. [Posgrado en Fisica Aplicada, Facultad de Ciencias Fisico-Matematicas, Benemerita Universidad Autonoma de Puebla, Blvd. 14 Sur 6301, Col. San Manuel, 72570, Puebla (Mexico); Portillo-Moreno, J. [Facultad de Ciencias Quimicas, Benemerita Universidad Autonoma de Puebla, Blvd. 14 Sur 6301, Col. San Manuel, 72570, Puebla (Mexico); Zelaya-Angel, O. [Departamento de Fisica, Centro de Investigacion y de Estudios Avanzados del IPN, PO Box 14-740, Mexico 07360 D.F. (Mexico)

    2012-06-01

    By means of electron gun evaporation Ge{sub 1-x}Si{sub x}:N thin films, in the entire range 0 {<=} x {<=} 1, were prepared on Si (100) and glass substrates. The initial vacuum reached was 6.6 Multiplication-Sign 10{sup -4} Pa, then a pressure of 2.7 Multiplication-Sign 10{sup -2} Pa of high purity N{sub 2} was introduced into the chamber. The deposition time was 4 min. Crucible-substrate distance was 18 cm. X-ray diffraction patterns indicate that all the films were amorphous (a-Ge{sub 1-x}Si{sub x}:N). The nitrogen concentration was of the order of 1 at% for all the films. From optical absorption spectra data and by using the Tauc method the energy band gap (E{sub g}) was calculated. The Raman spectra only reveal the presence of Si-Si, Ge-Ge, and Si-Ge bonds. Nevertheless, infrared spectra demonstrate the existence of Si-N and Ge-N bonds. The forbidden energy band gap (E{sub g}) as a function of x in the entire range 0 {<=} x {<=} 1 shows two well defined regions: 0 {<=} x {<=} 0.67 and 0.67 {<=} x {<=} 1, due to two different behaviors of the band gap, where for x > 0.67 exists an abruptly change of E{sub g}(x). In this case E{sub g}(x) versus x is different to the variation of E{sub g} in a-Ge{sub 1-x}Si{sub x} and a-Ge{sub 1-x}Si{sub x}:H. This fact can be related to the formation of Ge{sub 3}N{sub 4} and GeSi{sub 2}N{sub 4} when x {<=} 0.67, and to the formation of Si{sub 3}N{sub 4} and GeSi{sub 2}N{sub 4} for 0.67 {<=} x. - Highlights: Black-Right-Pointing-Pointer Nitrogen doped amorphous Ge{sub 1-x}Si{sub x} thin films are grown by electron gun technique. Black-Right-Pointing-Pointer Nitrogen atoms on E{sub g} of the a-Ge{sub 1-x}Si{sub x} films in the 0 Pound-Sign x Pound-Sign 1 range are analyzed. Black-Right-Pointing-Pointer Variation in 0 Pound-Sign x Pound-Sign 1 range shows a warped change of E{sub g} in 1.0 - 3.6 eV range. Black-Right-Pointing-Pointer The change in E{sub g}(x) behavior when x {approx} 0.67 was associated with Ge{sub 2}SiN{sub 4

  8. Scaling Universality between Band Gap and Exciton Binding Energy of Two-Dimensional Semiconductors

    Science.gov (United States)

    Jiang, Zeyu; Liu, Zhirong; Li, Yuanchang; Duan, Wenhui

    2017-06-01

    Using first-principles G W Bethe-Salpeter equation calculations and the k .p theory, we unambiguously show that for two-dimensional (2D) semiconductors, there exists a robust linear scaling law between the quasiparticle band gap (Eg) and the exciton binding energy (Eb), namely, Eb≈Eg/4 , regardless of their lattice configuration, bonding characteristic, as well as the topological property. Such a parameter-free universality is never observed in their three-dimensional counterparts. By deriving a simple expression for the 2D polarizability merely with respect to Eg, and adopting the screened hydrogen model for Eb, the linear scaling law can be deduced analytically. This work provides an opportunity to better understand the fantastic consequence of the 2D nature for materials, and thus offers valuable guidance for their property modulation and performance control.

  9. Band gap control in a line-defect magnonic crystal waveguide

    Energy Technology Data Exchange (ETDEWEB)

    Morozova, M. A., E-mail: mamorozovama@yandex.ru; Grishin, S. V.; Sadovnikov, A. V.; Romanenko, D. V.; Sharaevskii, Yu. P.; Nikitov, S. A. [Laboratory ' Metamaterials,' Saratov State University, Astrakhanskaya 83, Saratov 410012 (Russian Federation)

    2015-12-14

    We report on the experimental observation of the spin wave spectrum control in a line-defect magnonic crystal (MC) waveguide. We demonstrate the possibility to control the forbidden frequency band (band gap) for spin waves tuning the line-defect width. In particular, this frequency may be greater or lower than the one of 1D MC waveguide without line-defect. By means of space-resolved Brillouin light scattering technique, we study the localization of magnetization amplitude in the line-defect area. We show that the length of this localization region depends on the line-defect width. These results agree well with theoretical calculations of spin wave spectrum using the proposed model of two coupled magnonic crystal waveguides. The proposed simple geometry of MC with line-defect can be used as a logic and multiplexing block for application in the novel field of magnonic devices.

  10. Aqueous Processing of Low-Band-Gap Polymer Solar Cells Using Roll-to-Roll Methods

    DEFF Research Database (Denmark)

    Andersen, Thomas Rieks; Larsen-Olsen, Thue Trofod; Andreasen, Birgitta

    2011-01-01

    Aqueous nanoparticle dispersions of a series of three low-band-gap polymers poly[4,8-bis(2-ethylhexyloxy)benzo(1,2-b:4,5-b′)dithiophene-alt-5,6-bis(octyloxy)-4,7-di(thiophen-2-yl)(2,1,3-benzothiadiazole)-5,5′-diyl] (P1), poly[(4,4′-bis(2-ethylhexyl)dithieno[3,2-b:2′,3′-d]silole)-2,6-diyl-alt-(2...... (SDS). The size of the nanoparticles was established using small-angle X-ray scattering (SAXS) of the aqueous dispersions and by both atomic force microscopy (AFM) and using both grazing incidence SAXS (GISAXS) and grazing incidence wide-angle X-ray scattering (GIWAXS) in the solid state as coated...

  11. Zero permeability and zero permittivity band gaps in 1D metamaterial photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Depine, Ricardo A. [Grupo de Electromagnetismo Aplicado, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon I, C1428EHA Buenos Aires (Argentina); Martinez-Ricci, Maria L. [Grupo de Electromagnetismo Aplicado, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon I, C1428EHA Buenos Aires (Argentina); Monsoriu, Juan A. [Departamento de Fisica Aplicada, Universidad Politecnica de Valencia, 46022 Valencia (Spain)]. E-mail: jmonsori@fis.upv.es; Silvestre, Enrique [Departamento de Optica, Universidad de Valencia, 46100 Burjassot (Spain); Andres, Pedro [Departamento de Optica, Universidad de Valencia, 46100 Burjassot (Spain)

    2007-04-30

    We consider layered heterostructures combining ordinary positive index materials and dispersive metamaterials. We show that these structures can exhibit a new type of photonic gap around frequencies where either the magnetic permeability {mu} or the electric permittivity {epsilon} of the metamaterial is zero. Although the interface of a semi-infinite medium with zero refractive index (a condition attained either when {mu}=0 or when {epsilon}=0) is known to give full reflectivity for all incident polarizations, here we show that a gap corresponding to {mu}=0 occurs only for TE polarized waves, whereas a gap corresponding to {epsilon}=0 occurs only for TM polarized waves. These band gaps are scale-length invariant and very robust against disorder, although they may disappear for the particular case of propagation along the stratification direction.

  12. Zero permeability and zero permittivity band gaps in 1D metamaterial photonic crystals

    International Nuclear Information System (INIS)

    Depine, Ricardo A.; Martinez-Ricci, Maria L.; Monsoriu, Juan A.; Silvestre, Enrique; Andres, Pedro

    2007-01-01

    We consider layered heterostructures combining ordinary positive index materials and dispersive metamaterials. We show that these structures can exhibit a new type of photonic gap around frequencies where either the magnetic permeability μ or the electric permittivity ε of the metamaterial is zero. Although the interface of a semi-infinite medium with zero refractive index (a condition attained either when μ=0 or when ε=0) is known to give full reflectivity for all incident polarizations, here we show that a gap corresponding to μ=0 occurs only for TE polarized waves, whereas a gap corresponding to ε=0 occurs only for TM polarized waves. These band gaps are scale-length invariant and very robust against disorder, although they may disappear for the particular case of propagation along the stratification direction

  13. A New Agile Radiating System Called Electromagnetic Band Gap Matrix Antenna

    Directory of Open Access Journals (Sweden)

    Hussein Abou Taam

    2014-01-01

    Full Text Available Civil and military applications are increasingly in need for agile antenna devices which respond to wireless telecommunications, radars, and electronic warfare requirements. The objective of this paper is to design a new agile antenna system called electromagnetic band gap (EBG matrix. The working principle of this antenna is based on the radiating aperture theory and constitutes the subject of an accepted CNRS patent. In order to highlight the interest and the originality of this antenna, we present a comparison between it and a classical patch array only for the (one-dimensional 1D configuration by using a rigorous full wave simulation (CST Microwave software. In addition, EBG matrix antenna can be controlled by specific synthesis algorithms. These algorithms use inside their; optimization loop an analysis procedure to evaluate the radiation pattern. The analysis procedure is described and validated at the end of this paper.

  14. Two-dimensional silica: Structural, mechanical properties, and strain-induced band gap tuning

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Enlai; Xie, Bo [Applied Mechanics Laboratory, Department of Engineering Mechanics, and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084 (China); Xu, Zhiping, E-mail: xuzp@tsinghua.edu.cn [Applied Mechanics Laboratory, Department of Engineering Mechanics, and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084 (China); State Key Laboratory of Mechanics and Control of Mechanical Structures, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2016-01-07

    Two-dimensional silica is of rising interests not only for its practical applications as insulating layers in nanoelectronics, but also as a model material to understand crystals and glasses. In this study, we examine structural and electronic properties of hexagonal and haeckelite phases of silica bilayers by performing first-principles calculations. We find that the corner-sharing SiO{sub 4} tetrahedrons in these two phases are locally similar. The robustness and resilience of these tetrahedrons under mechanical perturbation allow effective strain engineering of the electronic structures with band gaps covering a very wide range, from of that for insulators, to wide-, and even narrow-gap semiconductors. These findings suggest that the flexible 2D silica holds great promises in developing nanoelectronic devices with strain-tunable performance, and lay the ground for the understanding of crystalline and vitreous phases in 2D, where bilayer silica provides an ideal test-bed.

  15. A versatile optical junction using photonic band-gap guidance and self collimation

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Man Mohan; Medhekar, Sarang, E-mail: smedhekarbit@gmail.com [Centre for Applied Physics, Central University of Jharkhand, Ranchi 835205 (India)

    2014-09-29

    We show that it is possible to design two photonic crystal (PC) structures such that an optical beam of desired wavelength gets guided within the line defect of the first structure (photonic band gap guidance) and the same beam gets guided in the second structure by self-collimation. Using two dimensional simulation of a design made of the combination of these two structures, we propose an optical junction that allows for crossing of two optical signals of same wavelength and same polarization with very low crosstalk. Moreover, the junction can be operated at number of frequencies in a wide range. Crossing of multiple beams with very low cross talk is also possible. The proposed junction should be important in future integrated photonic circuits.

  16. A Monte Carlo simulation for bipolar resistive memory switching in large band-gap oxides

    Energy Technology Data Exchange (ETDEWEB)

    Hur, Ji-Hyun, E-mail: jhhur123@gmail.com, E-mail: jeonsh@korea.ac.kr [Department of Applied Physics, Korea University, Sejong 2511, Sejong 339-700 (Korea, Republic of); Compound Device Laboratory, Samsung Advanced Institute of Technology, Nongseo-dong, Giheung-gu, Yongin-si, Gyeonggi-Do 446-712 (Korea, Republic of); Lee, Dongsoo [Compound Device Laboratory, Samsung Advanced Institute of Technology, Nongseo-dong, Giheung-gu, Yongin-si, Gyeonggi-Do 446-712 (Korea, Republic of); Jeon, Sanghun, E-mail: jhhur123@gmail.com, E-mail: jeonsh@korea.ac.kr [Department of Applied Physics, Korea University, Sejong 2511, Sejong 339-700 (Korea, Republic of)

    2015-11-16

    A model that describes bilayered bipolar resistive random access memory (BL-ReRAM) switching in oxide with a large band gap is presented. It is shown that, owing to the large energy barrier between the electrode and thin oxide layer, the electronic conduction is dominated by trap-assisted tunneling. The model is composed of an atomic oxygen vacancy migration model and an electronic tunneling conduction model. We also show experimentally observed three-resistance-level switching in Ru/ZrO{sub 2}/TaO{sub x} BL-ReRAM that can be explained by the two types of traps, i.e., shallow and deep traps in ZrO{sub 2}.

  17. Photonic band gap materials in butterfly scales: A possible source of 'blueprints'

    International Nuclear Information System (INIS)

    Kertesz, K.; Molnar, G.; Vertesy, Z.; Koos, A.A.; Horvath, Z.E.; Mark, G.I.; Tapaszto, L.; Balint, Zs.; Tamaska, I.; Deparis, O.; Vigneron, J.P.; Biro, L.P.

    2008-01-01

    The color generating nanoarchitectures in the cover scales of the blue (dorsal)-green (ventral) wing surfaces of the butterfly Albulina metallica were investigated by scanning electron microscopy and cross-sectional transmission electron microscopy. A layered, quasiordered structure was revealed in both the dorsal and ventral scales, with different order parameters, associated with their different colors. A successful attempt was made to reproduce the biological structure in the form of a quasiordered composite (SiO/(In and SiO)) multilayer structure using standard thin film deposition techniques. The position of the reflectance maxima of this artificial structure could be tailored by controlling the size of the In inclusions through oxidation. Our results show that photonic band gap materials of biologic origin may constitute valuable blueprints for artificial structures

  18. Optical properties of CuSe thin films - band gap determination

    Directory of Open Access Journals (Sweden)

    Petrović Milica

    2017-01-01

    Full Text Available Copper selenide thin films of three different thicknesses have been prepared by vacuum evaporation method on a glass substrate at room temperature. The optical properties of the films were investigated by UV-VIS-NIR spectroscopy and photoluminescence spectroscopy. Surface morphology was investigated by field-emission scanning electron microscopy. Copper selenide exhibits both direct and indirect transitions. The band gap for direct transition is found to be ~2.7 eV and that for indirect transition it is ~1.70 eV. Photoluminescence spectra of copper selenide thin films have also been analyzed, which show emission peaks at 530, 550, and 760 nm. The latter corresponds to indirect transition in investigated material. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III45003

  19. Energy Band Gap Dependence of Valley Polarization of the Hexagonal Lattice

    Science.gov (United States)

    Ghalamkari, Kazu; Tatsumi, Yuki; Saito, Riichiro

    2018-02-01

    The origin of valley polarization of the hexagonal lattice is analytically discussed by tight binding method as a function of energy band gap. When the energy gap decreases to zero, the intensity of optical absorption becomes sharp as a function of k near the K (or K') point in the hexagonal Brillouin zone, while the peak intensity at the K (or K') point keeps constant with decreasing the energy gap. When the dipole vector as a function of k can have both real and imaginary parts that are perpendicular to each other in the k space, the valley polarization occurs. When the dipole vector has only real values by selecting a proper phase of wave functions, the valley polarization does not occur. The degree of the valley polarization may show a discrete change that can be relaxed to a continuous change of the degree of valley polarization when we consider the life time of photo-excited carrier.

  20. Band-gap narrowing of TiO2 films induced by N-doping

    International Nuclear Information System (INIS)

    Nakano, Y.; Morikawa, T.; Ohwaki, T.; Taga, Y.

    2006-01-01

    N-doped TiO 2 films were deposited on n + -GaN/Al 2 O 3 substrates by reactive magnetron sputtering and subsequently crystallized by annealing at 550 o C in flowing N 2 gas. The N-doping concentration was ∼8.8%, as determined from X-ray photoelectron spectroscopy measurements. Deep-level optical spectroscopy measurements revealed two characteristic deep levels located at 1.18 and 2.48 eV below the conduction band. The 1.18 eV level is probably attributable to the O vacancy state and can be active as an efficient generation-recombination center. Additionally, the 2.48 eV band is newly introduced by the N-doping and contributes to band-gap narrowing by mixing with the O 2p valence band

  1. Spin-dependent recombination processes in wide band gap II-Mn-VI compounds

    International Nuclear Information System (INIS)

    Godlewski, M.; Yatsunenko, S.; Khachapuridze, A.; Ivanov, V.Yu.

    2004-01-01

    Mechanisms of optical detection of magnetic resonance in wide band gap II-Mn-VI diluted magnetic semiconductor (DMS) are discussed based on the results of photoluminescence (PL), PL kinetics, electron spin resonance (ESR) and optically detected magnetic resonance (ODMR) and optically detected cyclotron resonance (ODCR) investigations. Spin-dependent interactions between localized spins of Mn 2+ ions and spins/magnetic moments of free, localized or bound carriers are responsible for the observed ODMR signals. We conclude that these interactions are responsible for the observed rapid shortening of the PL decay time of 4 T 1 → 6 A 1 intra-shell emission of Mn 2+ ions and also for the observed delocalization of excitons in low dimensional structures

  2. Gap deformation and classical wave localization in disordered two-dimensional photonic-band-gap materials

    International Nuclear Information System (INIS)

    Lidorikis, E.; Sigalas, M. M.; Economou, E. N.; Soukoulis, C. M.

    2000-01-01

    By using two ab initio numerical methods, we study the effects that disorder has on the spectral gaps and on wave localization in two-dimensional photonic-band-gap materials. We find that there are basically two different responses depending on the lattice realization (solid dielectric cylinders in air or vice versa), the wave polarization, and the particular form under which disorder is introduced. Two different pictures for the photonic states are employed, the ''nearly free'' photon and the ''strongly localized'' photon. These originate from the two different mechanisms responsible for the formation of the spectral gaps, i.e., multiple scattering and single scatterer resonances, and they qualitatively explain our results. (c) 2000 The American Physical Society

  3. Instantaneous band gap collapse in VO{sub 2} caused by photocarrier doping

    Energy Technology Data Exchange (ETDEWEB)

    Herzog, Marc; Wegkamp, Daniel; Wolf, Martin; Staehler, Julia [Fritz-Haber-Institut der MPG, Berlin (Germany); Xian, Lede; Cudazzo, Pierluigi [Univ. del Pais Vasco, San Sebastian (Spain); European Theoretical Spectroscopy Facility (ETSF) (France); Gatti, Matteo [European Theoretical Spectroscopy Facility (ETSF) (France); Ecole Polytechnique, Palaiseau (France); McGahan, Christina L.; Marvel, Robert E.; Haglund, Richard F. [Vanderbilt Univ., Nashville, Tennessee (United States); Rubio, Angel [Fritz-Haber-Institut der MPG, Berlin (Germany); Univ. del Pais Vasco, San Sebastian (Spain); European Theoretical Spectroscopy Facility (ETSF) (France); MPI for the Structure and Dynamics of Matter, Hamburg (Germany)

    2015-07-01

    We have investigated the controversially discussed mechanism of the insulator-to-metal transition (IMT) in VO{sub 2} by means of femtosecond time-resolved photoelectron spectroscopy (trPES). Our data show that photoexcitation transforms insulating monoclinic VO{sub 2} quasi-instantaneously into a metal without an 80 fs structural bottleneck for the photoinduced electronic phase transition. First-principles many-body perturbation theory calculations reveal an ultrahigh sensitivity of the VO{sub 2} band gap to variations of the dynamically screened Coulomb interaction thus supporting the fully electronically driven isostructural IMT indicated by our trPES results. We conclude that the ultrafast band structure renormalization is caused by photoexcitation of carriers from localized V 3d valence states, strongly changing the screening before significant hot-carrier relaxation or ionic motion has occurred.

  4. Tunable band gaps in acoustic metamaterials with periodic arrays of resonant shunted piezos

    International Nuclear Information System (INIS)

    Chen Sheng-Bing; Wen Ji-Hong; Wang Gang; Wen Xi-Sen

    2013-01-01

    Periodic arrays of resonant shunted piezoelectric patches are employed to control the wave propagation in a two-dimensional (2D) acoustic metamaterial. The performance is characterized by the finite element method. More importantly, we propose an approach to solving the conventional issue of the nonlinear eigenvalue problem, and give a convenient solution to the dispersion properties of 2D metamaterials with periodic arrays of resonant shunts in this article. Based on this modeling method, the dispersion relations of a 2D metamaterial with periodic arrays of resonant shunted piezos are calculated. The results show that the internal resonances of the shunting system split the dispersion curves, thereby forming a locally resonant band gap. However, unlike the conventional locally resonant gap, the vibrations in this locally resonant gap are unable to be completely localized in oscillators consisting of shunting inductors and piezo-patches

  5. Electromagnetic Band Gap Structures: Practical Tips and Advice for Antenna Engineers

    Directory of Open Access Journals (Sweden)

    P. Kovacs

    2012-04-01

    Full Text Available In this paper we discuss the use of electromagnetic band gap (EBG structures in antenna engineering from a practical point of view. Our aim is to point out the most common mistakes and myths related to design, analysis and application of EBGs in the field of antennas. The paper could be helpful for beginners giving a short course on designing EBGs but also will bring novel findings for experts, investigating the effect of different number of unit cells on radiation characteristics of a planar antenna. An important part of the paper is the experiments showing the surface wave distribution over an EBG board and over the fabricated antennas with- and without the periodic structure.

  6. Effect of band gap narrowing on GaAs tunnel diode I-V characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Lebib, A.; Hannanchi, R. [Laboratoire d' énergie et de matériaux, LabEM-LR11ES34-Université de sousse (Tunisia); Beji, L., E-mail: lotbej_fr@yahoo.fr [Laboratoire d' énergie et de matériaux, LabEM-LR11ES34-Université de sousse (Tunisia); EL Jani, B. [Unité de Recherche sur les Hétéro-Epitaxies et Applications, Faculté des Sciences, Université de Monastir, 5019 Monastir (Tunisia)

    2016-12-01

    We report on experimental and theoretical study of current-voltage characteristics of C/Si-doped GaAs tunnel diode. For the investigation of the experimental data, we take into account the band-gap narrowing (BGN) effect due to heavily-doped sides of the tunnel diode. The BGN of the n- and p-sides of tunnel diode was measured by photoluminescence spectroscopy. The comparison between theoretical results and experimental data reveals that BGN effect enhances tunneling currents and hence should be considered to identify more accurately the different transport mechanisms in the junction. For C/Si-doped GaAs tunnel diode, we found that direct tunneling is the dominant transport mechanism at low voltages. At higher voltages, this mechanism is replaced by the rate-controlling tunneling via gap states in the forbidden gap.

  7. Structural and optical band gap of PEO/PVP polymer blend

    Science.gov (United States)

    Basappa, M.; Yesappa, L.; Niranjana, M.; Ashokkumar, S. P.; Vandana, M.; Vijeth, H.; Devendrappa, H.

    2018-05-01

    The PEO/PVP polymers blend film at different wt % of PVP is prepared by solution casting method using methanol as a solvent. The blend was characterized by FT-IR to confirm the blend and the peak observed in the region 1230-980 cm-1 corresponds to C-O-C symmetric and asymmetric stretching. The UV-visible absorption shows red shift from 190 to 220 nm in the ultra violet region is attributed to π→π* transition. The direct and indirect optical band gaps were determined and found decreases from 4.99 to 4.62 eV with increased PVP wt % to 50:50.

  8. Lamb wave band gaps in one-dimensional radial phononic crystal plates with periodic double-sided corrugations

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yinggang [School of Mechanical Engineering and State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi’an Jiaotong University, Xi’an, 710049 (China); School of Transportation, Wuhan University of Technology, Wuhan 430070 (China); Chen, Tianning [School of Mechanical Engineering and State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi’an Jiaotong University, Xi’an, 710049 (China); Wang, Xiaopeng, E-mail: xpwang@mail.xjtu.edu.cn [School of Mechanical Engineering and State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi’an Jiaotong University, Xi’an, 710049 (China); Li, Suobin [School of Mechanical Engineering and State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi’an Jiaotong University, Xi’an, 710049 (China)

    2015-11-01

    In this paper, we present the theoretical investigation of Lamb wave propagation in one-dimensional radial phononic crystal (RPC) plates with periodic double-sided corrugations. The dispersion relations, the power transmission spectra, and the displacement fields of the eigenmodes are studied by using the finite element method based on two-dimensional axial symmetry models in cylindrical coordinates. Numerical results show that the proposed RPC plates with periodic double-sided corrugations can yield several band gaps with a variable bandwidth for Lamb waves. The formation mechanism of band gaps in the double-sided RPC plates is attributed to the coupling between the Lamb modes and the in-phase and out-phases resonant eigenmodes of the double-sided corrugations. We investigate the evolution of band gaps in the double-sided RPC plates with the corrugation heights on both sides arranged from an asymmetrical distribution to a symmetrical distribution gradually. Significantly, with the introduction of symmetric double-sided corrugations, the antisymmetric Lamb mode is suppressed by the in-phase resonant eigenmodes of the double-sided corrugations, resulting in the disappearance of the lowest band gap. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically.

  9. Temperature dependence of active photonic band gap in bragg-spaced quantum wells

    International Nuclear Information System (INIS)

    Hu Zhiqiang; Wang Tao; Yu Chunchao; Xu Wei

    2011-01-01

    A novel all-optical polarization switch of active photonic band gap structure based on non-resonant optical Stark effect bragg-spaced quantum wells was investigated and it could be compatible with the optical communication system. The theory is based on InGaAsP/InP Bragg-spaced quantum wells (BSQWs). Mainly through the design of the InGaAsP well layer component and InP barrier thickness to make the quantum-period cycle meet the bragg condition and the bragg frequency is equal to re-hole exciton resonance frequency. When a spectrally narrow control pulse is tuned within the forbidden gap, such BSQWs have been shown to exhibit large optical nonlinearities and ps recovery times, which can form T hz switch. However, the exciton binding energy of InGaAsP will be automatically separate at room temperature, so the effect of all-optical polarization switching of active photonic band gap bragg structure quantum wells can only be studied at low temperature. By a large number of experiments, we tested part of the material parameters of BSQWs in the temperature range 10-300K. On this basis, the InGaAsP and InP refractive index changes with wavelength, InP thermal expansion coefficient are studied and a relationship equation is established. Experimental results show that the bragg reflection spectra with temperature mainly is effected by InP refractive index changes with temperature. Our theoretical study and experiment are an instruction as a reference in the designs and experiments of future practical optical switches.

  10. Temperature dependence of active photonic band gap in bragg-spaced quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Hu Zhiqiang; Wang Tao; Yu Chunchao; Xu Wei, E-mail: huzhiqianghzq@163.com [Wuhan National Laboratory for Optoelectronics, College of Optoelectronic Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, Hubei (China)

    2011-02-01

    A novel all-optical polarization switch of active photonic band gap structure based on non-resonant optical Stark effect bragg-spaced quantum wells was investigated and it could be compatible with the optical communication system. The theory is based on InGaAsP/InP Bragg-spaced quantum wells (BSQWs). Mainly through the design of the InGaAsP well layer component and InP barrier thickness to make the quantum-period cycle meet the bragg condition and the bragg frequency is equal to re-hole exciton resonance frequency. When a spectrally narrow control pulse is tuned within the forbidden gap, such BSQWs have been shown to exhibit large optical nonlinearities and ps recovery times, which can form T hz switch. However, the exciton binding energy of InGaAsP will be automatically separate at room temperature, so the effect of all-optical polarization switching of active photonic band gap bragg structure quantum wells can only be studied at low temperature. By a large number of experiments, we tested part of the material parameters of BSQWs in the temperature range 10-300K. On this basis, the InGaAsP and InP refractive index changes with wavelength, InP thermal expansion coefficient are studied and a relationship equation is established. Experimental results show that the bragg reflection spectra with temperature mainly is effected by InP refractive index changes with temperature. Our theoretical study and experiment are an instruction as a reference in the designs and experiments of future practical optical switches.

  11. Wave propagation in ordered, disordered, and nonlinear photonic band gap materials

    Energy Technology Data Exchange (ETDEWEB)

    Lidorikis, Elefterios [Iowa State Univ., Ames, IA (United States)

    1999-12-10

    Photonic band gap materials are artificial dielectric structures that give the promise of molding and controlling the flow of optical light the same way semiconductors mold and control the electric current flow. In this dissertation the author studied two areas of photonic band gap materials. The first area is focused on the properties of one-dimensional PBG materials doped with Kerr-type nonlinear material, while, the second area is focused on the mechanisms responsible for the gap formation as well as other properties of two-dimensional PBG materials. He first studied, in Chapter 2, the general adequacy of an approximate structure model in which the nonlinearity is assumed to be concentrated in equally-spaced very thin layers, or 6-functions, while the rest of the space is linear. This model had been used before, but its range of validity and the physical reasons for its limitations were not quite clear yet. He performed an extensive examination of many aspects of the model's nonlinear response and comparison against more realistic models with finite-width nonlinear layers, and found that the d-function model is quite adequate, capturing the essential features in the transmission characteristics. The author found one exception, coming from the deficiency of processing a rigid bottom band edge, i.e. the upper edge of the gaps is always independent of the refraction index contrast. This causes the model to miss-predict that there are no soliton solutions for a positive Kerr-coefficient, something known to be untrue.

  12. Controllable Synthesis of Band Gap-Tunable and Monolayer Transition Metal Dichalcogenide Alloys

    Directory of Open Access Journals (Sweden)

    Sheng-Han eSu

    2014-07-01

    Full Text Available The electronic and optical properties of transition metal dichalcogenide (TMD materials are directly governed by their energy gap; thus, the band gap engineering has become an important topic recently. Theoretical and some experimental results have indicated that these monolayer TMD alloys exhibit direct-gap properties and remain stable at room temperature, making them attractive for optoelectronic applications. Here we systematically compared the two approaches of forming MoS2xSe2(1-x monolayer alloys: selenization of MoS2 and sulfurization of MoSe2. The optical energy gap of as-grown CVD MoS2 can be continuously modulated from 1.86 eV (667 nm to 1.57 eV (790 nm controllable by the reaction temperature. Spectroscopic and microscopic evidences show that the Mo-S bonds can be replaced by the Mo-Se bonds in a random and homogeneous manner. By contrast, the replacement of Mo-Se by Mo-S does not randomly occur in the MoSe2 lattice, where the reaction preferentially occurs along the crystalline orientation of MoSe2 and thus the MoSe2/MoS2 biphases are easily observed in the alloys, which makes the optical band gap of these alloys distinctly different. Therefore, the selenization of metal disulfide is preferred and the proposed synthetic strategy opens up a simple route to control the atomic structure as well as optical properties of monolayer TMD alloys.

  13. ALD grown nanostructured ZnO thin films: Effect of substrate temperature on thickness and energy band gap

    Directory of Open Access Journals (Sweden)

    Javed Iqbal

    2016-10-01

    Full Text Available Nanostructured ZnO thin films with high transparency have been grown on glass substrate by atomic layer deposition at various temperatures ranging from 100 °C to 300 °C. Efforts have been made to observe the effect of substrate temperature on the thickness of the deposited thin films and its consequences on the energy band gap. A remarkably high growth rate of 0.56 nm per cycle at a substrate temperature of 200 °C for ZnO thin films have been achieved. This is the maximum growth rate for ALD deposited ZnO thin films ever reported so far to the best of our knowledge. The studies of field emission scanning electron microscopy and X-ray diffractometry patterns confirm the deposition of uniform and high quality nanosturtured ZnO thin films which have a polycrystalline nature with preferential orientation along (100 plane. The thickness of the films deposited at different substrate temperatures was measured by ellipsometry and surface profiling system while the UV–visible and photoluminescence spectroscopy studies have been used to evaluate the optical properties of the respective thin films. It has been observed that the thickness of the thin film depends on the substrate temperatures which ultimately affect the optical and structural parameters of the thin films.

  14. Raman scattering and band-gap variations of Al-doped ZnO nanoparticles synthesized by a chemical colloid process

    International Nuclear Information System (INIS)

    Lo, Shih-Shou; Huang, Dison; Tu, Chun Hsiang; Hou, Chia-Hung; Chen, Chii-Chang

    2009-01-01

    This study synthesizes Al-doped ZnO (AZO) nanoparticles using a chemical colloid process. Raman scattering analysis shows that Al doping increases the lattice defects and induces Raman vibration modes of 651 cm -1 . The Raman shift of the active mode E 2 (high) of AZO nanoparticles shows the presence and increase in the stress in nanoparticles when the Al dopant concentration increases. Room-temperature photoluminescence (RT-PL) spectra of synthesized AZO nanoparticles exhibit strong UV emissions near the band edges. The RT-PL peak shifts to a higher photon energy region as the Al concentration increases, indicating a broadening of the band gap.

  15. The role of engineered materials in superconducting tunnel junction X-ray detectors - Suppression of quasiparticle recombination losses via a phononic band gap

    Science.gov (United States)

    Rippert, Edward D.; Ketterson, John B.; Chen, Jun; Song, Shenian; Lomatch, Susanne; Maglic, Stevan R.; Thomas, Christopher; Cheida, M. A.; Ulmer, Melville P.

    1992-01-01

    An engineered structure is proposed that can alleviate quasi-particle recombination losses via the existence of a phononic band gap that overlaps the 2-Delta energy of phonons produced during recombination of quasi-particles. Attention is given to a 1D Kronig-Penny model for phonons normally incident to the layers of a multilayered superconducting tunnel junction as an idealized example. A device with a high density of Bragg resonances is identified as desirable; both Nb/Si and NbN/SiN superlattices have been produced, with the latter having generally superior performance.

  16. Synergic effect of the TiO{sub 2}-CeO{sub 2} nanoconjugate system on the band-gap for visible light photocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Contreras-García, M.E. [Instituto de Investigaciones Metalúrgicas, edificio “U”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico); García-Benjume, M. Lorena, E-mail: lbenjume@yahoo.com [Instituto de Investigaciones Metalúrgicas, edificio “U”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico); Macías-Andrés, Víctor I. [Instituto de Investigaciones Metalúrgicas, edificio “U”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico); Barajas-Ledesma, E. [Universidad de La Ciénega del Estado de Michoacán de Ocampo, Avenida Universidad 3000, C.P. 59000, Sahuayo, Michoacán (Mexico); Medina-Flores, A. [Instituto de Investigaciones Metalúrgicas, edificio “U”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico); Espitia-Cabrera, M.I. [Facultad de Ingeniería Química, edificio “M”, Ciudad Universitaria, Universidad Michoacana de San Nicolás de Hidalgo, C.P. 58060, Morelia, Michoacán (Mexico)

    2014-04-01

    Graphical abstract: - Highlights: • Nanostructured TiO{sub 2}-CeO{sub 2} films are successfully synthesized by combining of sputtering and electrophoresis methods. • Synergic effect of CeO{sub 2} on TiO{sub 2} band gap was demonstrated, CeO{sub 2} diminishes it from 3.125 to 2.74. • Morphologic characterization of the nanoconjugate TiO{sub 2}-CeO{sub 2} films by different microscopy techniques. - Abstract: The TiO{sub 2}-CeO{sub 2} photocatalytic system in films is proposed here, in order to obtain photocatalytic systems that can be excited by solar light. The films were obtained through the electrophoretic deposition (EPD) of TiO{sub 2}-CeO{sub 2} gel on sputtered Ti Corning glass substrates. The synergic effect of CeO{sub 2} in TiO{sub 2} films was analyzed as a function of the optical band gap reduction at different concentrations (1, 5, 10, and 15 mol%). The effect of two thermal treatments was also evaluated. The lowest band gap value was obtained for the sample with 5 mol% ceria that was thermally treated at 700 °C. The nanostructured films were characterized by Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), high angle annular dark field (HAADF), high resolution transmission electron microscopy (HRTEM), and atomic force microscopy (AFM). The nanocomposites were formed by TiO{sub 2} and CeO{sub 2} nanoparticles in the anatase and fluorite type phases, respectively.

  17. Effects of electron beam parameters and velocity spread on radio frequency output of a photonic band gap cavity gyrotron oscillator

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Ashutosh, E-mail: asingh.rs.ece@iitbhu.ac.in [Faculty of Physical Sciences, Institute of Natural Sciences and Humanities, Shri Ramswaroop Memorial University, Lucknow-Deva Road, Uttar Pradesh 225003 (India); Center of Research in Microwave Tubes, Department of Electronics Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India); Jain, P. K. [Center of Research in Microwave Tubes, Department of Electronics Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

    2015-09-15

    In this paper, the effects of electron beam parameters and velocity spread on the RF behavior of a metallic photonic band gap (PBG) cavity gyrotron operating at 35 GHz with TE{sub 041}–like mode have been theoretically demonstrated. PBG cavity is used here to achieve a single mode operation of the overmoded cavity. The nonlinear time-dependent multimode analysis has been used to observe the beam-wave interaction behavior of the PBG cavity gyrotron, and a commercially available PIC code “CST Particle Studio” has been reconfigured to obtain 3D simulation results in order to validate the analytical values. The output power for this typical PBG gyrotron has been obtained ∼108 kW with ∼15.5% efficiency in a well confined TE{sub 041}–like mode, while all other competing modes have significantly low values of power output. The output power and efficiency of a gyrotron depend highly on the electron beam parameters and velocity spread. The influence of several electron beam parameters, e.g., beam voltage, beam current, beam velocity pitch factor, and DC magnetic field, on the PBG gyrotron operations has been investigated. This study would be helpful in optimising the electron beam parameters and estimating accurate RF output power of the high frequency PBG cavity based gyrotron oscillators.

  18. Band Gap Engineering of Boron Nitride by Graphene and Its Application as Positive Electrode Material in Asymmetric Supercapacitor Device.

    Science.gov (United States)

    Saha, Sanjit; Jana, Milan; Khanra, Partha; Samanta, Pranab; Koo, Hyeyoung; Murmu, Naresh Chandra; Kuila, Tapas

    2015-07-08

    Nanostructured hexagonal boron nitride (h-BN)/reduced graphene oxide (RGO) composite is prepared by insertion of h-BN into the graphene oxide through hydrothermal reaction. Formation of the super lattice is confirmed by the existence of two separate UV-visible absorption edges corresponding to two different band gaps. The composite materials show enhanced electrical conductivity as compared to the bulk h-BN. A high specific capacitance of ∼824 F g(-1) is achieved at a current density of 4 A g(-1) for the composite in three-electrode electrochemical measurement. The potential window of the composite electrode lies in the range from -0.1 to 0.5 V in 6 M aqueous KOH electrolyte. The operating voltage is increased to 1.4 V in asymmetric supercapacitor (ASC) device where the thermally reduced graphene oxide is used as the negative electrode and the h-BN/RGO composite as the positive electrode. The ASC exhibits a specific capacitance of 145.7 F g(-1) at a current density of 6 A g(-1) and high energy density of 39.6 W h kg(-1) corresponding to a large power density of ∼4200 W kg(-1). Therefore, a facile hydrothermal route is demonstrated for the first time to utilize h-BN-based composite materials as energy storage electrode materials for supercapacitor applications.

  19. Solar spectrum conversion for photovoltaics using nanoparticles

    OpenAIRE

    Sark, W.G.J.H.M. van; Meijerink, A.; Schropp, R.E.I.

    2012-01-01

    The possibility to tune chemical and physical properties in nanosized materials has a strong impact on a variety of technologies, including photovoltaics. One of the prominent research areas of nanomaterials for photovoltaics involves spectral conversion. Conventional single-junction semiconductor solar cells only effectively convert photons of energy close to the semiconductor band gap (Eg) as a result of the mismatch between the incident solar spectrum and the spectral absorption properties...

  20. Omnidirectional photonic band gap in magnetron sputtered TiO{sub 2}/SiO{sub 2} one dimensional photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Jena, S., E-mail: shuvendujena9@gmail.com [Atomic & Molecular Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Tokas, R.B.; Sarkar, P. [Atomic & Molecular Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Misal, J.S.; Maidul Haque, S.; Rao, K.D. [Photonics & Nanotechnology Section, BARC-Vizag, Autonagar, Atomic & Molecular Physics Division, Bhabha Atomic Research Centre facility, Visakhapatnam 530 012 (India); Thakur, S.; Sahoo, N.K. [Atomic & Molecular Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2016-01-29

    One dimensional photonic crystal (1DPC) of TiO{sub 2}/SiO{sub 2} multilayer has been fabricated by sequential asymmetric bipolar pulsed dc magnetron sputtering of TiO{sub 2} and radio frequency magnetron sputtering of SiO{sub 2} to achieve wide omnidirectional photonic band in the visible region. The microstructure and optical response of the TiO{sub 2}/SiO{sub 2} photonic crystal have been characterized by atomic force microscopy, scanning electron microscopy and spectrophotometry respectively. The surface of the photonic crystal is very smooth having surface roughness of 2.6 nm. Reflection and transmission spectra have been measured in the wavelength range 300 to 1000 nm for both transverse electric and transverse magnetic waves. Wide high reflection photonic band gap (∆ λ = 245 nm) in the visible and near infrared regions (592–837 nm) at normal incidence has been achieved. The measured photonic band gap (PBG) is found well matching with the calculated photonic band gap of an infinite 1DPC. The experimentally observed omnidirectional photonic band 592–668 nm (∆ λ = 76 nm) in the visible region with band to mid-band ratio ∆ λ/λ = 12% for reflectivity R > 99% over the incident angle range of 0°–70° is found almost matching with the calculated omnidirectional PBG. The omnidirectional reflection band is found much wider as compared to the values reported in literature so far in the visible region for TiO{sub 2}/SiO{sub 2} periodic photonic crystal. - Highlights: • TiO{sub 2}/SiO{sub 2} 1DPC has been fabricated using magnetron sputtering technique. • Experimental optical response is found good agreement with simulation results. • Wide omnidirectional photonic band in the visible spectrum has been achieved.