WorldWideScience

Sample records for high band gap

  1. Multi Band Gap High Efficiency Converter (RAINBOW)

    Science.gov (United States)

    Bekey, I.; Lewis, C.; Phillips, W.; Shields, V.; Stella, P.

    1997-01-01

    The RAINBOW multi band gap system represents a unique combination of solar cells, concentrators and beam splitters. RAINBOW is a flexible system which can readily expand as new high efficiency components are developed.

  2. 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...

  3. Empirical determination of the energy band gap narrowing in highly doped n+ silicon

    Science.gov (United States)

    Yan, Di; Cuevas, Andres

    2013-07-01

    Highly doped regions in silicon devices should be analyzed using Fermi-Dirac statistics, taking into account energy band gap narrowing (BGN). An empirical expression for the BGN as a function of dopant concentration is derived here by matching the modeled and measured thermal recombination current densities J0 of a broad range of n+ dopant concentration profiles prepared by phosphorus diffusion. The analysis is repeated with Boltzmann statistics in order to determine a second empirical expression for the apparent energy band gap narrowing, which is found to be in good agreement with previous work.

  4. Photonic band gap materials

    Science.gov (United States)

    Cassagne, D.

    Photonic band gap materials Photonic band gap materials are periodic dielectric structures that control the propagation of electromagnetic waves. We describe the plane wave method, which allows to calculate the band structures of photonic crystals. By symmetry analysis and a perturbative approach, we predict the appearance of the low energy photonic band gaps of hexagonal structures. We propose new two-dimensional structures called graphite and boron nitride. Using a transfer matrix method, we calculate the transmission of the graphite structure and we show the crucial role of the coupling with external modes. We study the appearance of allowed modes in the photonic band gap by the introduction of localized defects in the periodicity. Finally, we discuss the properties of opals formed by self-organized silica microspheres, which are very promising for the fabrication of three-dimensional photonic crystals. Les matériaux à bandes interdites photoniques sont des structures diélectriques périodiques qui contrôlent la propagation des ondes électromagnétiques. Nous décrivons la méthode des ondes planes qui permet de calculer les structures de bandes des cristaux photoniques. Par une analyse de la symétrie et une approche perturbative, nous précisons les conditions d'existence des bandes interdites de basse énergie. Nous proposons de nouvelles structures bidimensionnelles appelées graphite et nitrure de bore. Grâce à une méthode de matrices de transfert, nous calculons la transmission de la structure graphite et nous mettons en évidence le rôle fondamental du couplage avec les modes extérieurs. Nous étudions l'apparition de modes permis dans la bande interdite grâce à l'introduction de défauts dans la périodicité. Enfin, nous discutons les propriétés des opales constituées de micro-billes de silice auto-organisées, qui sont très prometteuses pour la fabrication de cristaux photoniques tridimensionnels.

  5. A PHOTONIC BAND GAP FIBRE

    DEFF Research Database (Denmark)

    1999-01-01

    An optical fibre having a periodicidal cladding structure provididing a photonic band gap structure with superior qualities. The periodical structure being one wherein high index areas are defined and wherein these are separated using a number of methods. One such method is the introduction...

  6. Development of wide-band gap indium gallium nitride solar cells for high-efficiency photovoltaics

    Science.gov (United States)

    Jani, Omkar K.

    Main objective of the present work is to develop wide-band gap InGaN solar cells in the 2.4--2.9 eV range that can be an integral component of photovoltaic devices to achieve efficiencies greater than 50%. The III-nitride semiconductor material system, which consists of InN, GaN, AlN and their alloys, offers a substantial potential in developing ultra-high efficiency photovoltaics mainly due to its wide range of direct-band gap, and other electronic, optical and mechanical properties. However, this novel InGaN material system poses challenges from theoretical, as well as technological standpoints, which are further extended into the performance of InGaN devices. In the present work, these challenges are identified and overcome individually to build basic design blocks, and later, optimized comprehensively to develop high-performance InGaN solar cells. One of the major challenges from the theoretical aspect arises due to unavailability of a suitable modeling program for InGaN solar cells. As spontaneous and piezoelectric polarization can substantially influence transport of carriers in the III-nitrides, these phenomena are studied and incorporated at a source-code level in the PC1D simulation program to accurately model InGaN solar cells. On the technological front, InGaN with indium compositions up to 30% (2.5 eV band gap) are developed for photovoltaic applications by controlling defects and phase separation using metal-organic chemical vapor deposition. InGaN with band gap of 2.5 eV is also successfully doped to achieve acceptor carrier concentration of 1018 cm-3. A robust fabrication scheme for III-nitride solar cells is established to increase reliability and yield; various schemes including interdigitated grid contact and current spreading contacts are developed to yield low-resistance Ohmic contacts for InGaN solar cells. Preliminary solar cells are developed using a standard design to optimize the InGaN material, where the band gap of InGaN is progressively

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

    Science.gov (United States)

    Michieletto, Mattia; Johansen, Mette M.; Lyngsø, Jens K.; Lægsgaard, Jesper; Bang, Ole; Alkeskjold, Thomas T.

    2016-03-01

    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 setup. It provided 22ps pulses with a maximum average power of 95W, 40MHz repetition rate at 1032nm (~2.4μJ pulse energy), with M2 bend sensitivity. The fibers were coiled on 8 centimeters radius spools and even lower bending radii were present. In addition, stimulated rotational Raman scattering arising from nitrogen molecules was measured through a 42m long 19 cell hollow core fiber.

  8. 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...... threshold for a 19-cell hollow core photonic bandgap fiber exceeded the maximum power provided by the light source and up to 76W average output power was demonstrated for a 1m fiber. In both cases, no special attention was needed to mitigate bend sensitivity. The fibers were coiled on 8 centimeters radius...... spools and even lower bending radii were present. In addition, stimulated rotational Raman scattering arising from nitrogen molecules was measured through a 42m long 19 cell hollow core fiber. © (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract...

  9. Germanium under high tensile stress: nonlinear dependence of direct band gap vs. strain

    OpenAIRE

    Guilloy, K.; Pauc, N.; Gassenq, A.; Niquet, Y. M.; Escalante, J. M.; Duchemin, I.; Tardif, S; Dias, G. Osvaldo; Rouchon, D.; Widiez, J.; Hartmann, J.M.; Geiger, R.; Zabel, T.; Sigg, H; Faist, J.

    2016-01-01

    Germanium is a strong candidate as a laser source for silicon photonics. It is widely accepted that the band structure of germanium can be altered by tensile strain so as to reduce the energy difference between its direct and indirect band gaps. However, the conventional deformation potential model most widely adopted to describe this transformation happens to have been investigated only up to 1 % uniaxially loaded strains. In this work, we use a micro-bridge geometry to uniaxially stress ger...

  10. Dynamics of Below-Band-Gap Carrier in Highly Excited GaN

    Institute of Scientific and Technical Information of China (English)

    郭冰; 黄锦圣; 叶志镇; 江红星; 林景瑜

    2003-01-01

    Femtosecond time-resolved reflectivity was used to investigate below-band-gap (3.1 eV) carrier dynamics in a nominally undoped GaN epilayer under high excitation. A 2.5-ps rising process can be observed in the transient trace. This shot rising time results from the hot phonon effects which can cause a delayed energy relaxation of the initial photocarriers toward the band edge. From the density dependence of the carrier dynamics, the Mott density was estimated to be 1.51-1.56 × 1019 cm-3. Below the Mott density, the initial probed carrier dynamics was explained to the effect of acoustic phonon-assisted tunnelling for localized states, where a significant excitation density dependence of the tunnelling probability was observed due to the optically induced bandtail extension to lower energies. Above the Mott density, the measured carrier dynamics reflected the relaxation of an electron-hole plasma, in which a distinct fast decay component of 2.3 ps was observed due to the onset of nonlinear relaxation processes such Auger recombination.

  11. Microstrip microwave band gap structures

    Indian Academy of Sciences (India)

    V Subramanian

    2008-04-01

    Microwave band gap structures exhibit certain stop band characteristics based on the periodicity, impedance contrast and effective refractive index contrast. These structures though formed in one-, two- and three-dimensional periodicity, are huge in size. In this paper, microstrip-based microwave band gap structures are formed by removing the substrate material in a periodic manner. This paper also demonstrates that these structures can serve as a non-destructive characterization tool for materials, a duplexor and frequency selective coupler. The paper presents both experimental results and theoretical simulation based on a commercially available finite element methodology for comparison.

  12. One-Dimensional Anisotropic Band Gap Structure

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The band gap structure of one-dimensional anisotropic photonic crystal has been studied by means of the transfer matrix formalism. From the analytic expressions and numeric calculations we see some general characteristics of the band gap structure of anisotropic photonic crystals, each band separates into two branches and the two branches react to polarization sensitively. In the practical case of oblique incidence, gaps move towards high frequency when the angle of incidence increases. Under some special conditions, the two branches become degenerate again.

  13. 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.

  14. Band Gap Computation of Two Dimensional Photonic Crystal for High Index Contrast Grating Application

    Directory of Open Access Journals (Sweden)

    Gagandeep Kaur

    2014-05-01

    Full Text Available Two Dimensional Photonic Crystal (PHc is convenient type of PHc, It refers to the fact that the dielectric is periodic in Two directions. The study of photonic structure by a simulation method is extremely momentous. At optical frequencies the optical density contained by two dimensional PHc changes periodically. They have the property to strong effect the propagation of light waves at these optical frequencies. A typical linearization method which solves the common nonlinear Eigen values difficulties has been used to achieve structures of the photonic band. There are two method plane wave expansion method (PWE and Finite Difference Time Domain method (FDTD. These Methods are most widely used for band gap calculation of PHc’s. FDTD Method has more smoothness and directness and can be explored effortlessly for simulation of the field circulation inside the photonic structure than PWE method so we have used FDTD Method for Two dimensional PHc’s calculation. In simulation of Two Dimensional band structures, silicon material has 0.543nm lattice constant and 1.46refractive index.

  15. 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...... since grid regulations have become stricter in terms of injected harmonic and power quality. Therefore, improving the efficiency and the power quality of PFCs are the main objectives of this PhD work. New wide band gap (WBG) power switches have better switching characteristics in comparison with silicon...... power devices. Therefore, the PFC switching frequency using WBG devices can potentially be increased. This advantage helps the reactive components to be reduced in size. However, it also brings challenges such as identifying a proper material for inductive components that has lower loss and layout...

  16. Band Gap Variation of CdInSe and CdZnS Fabricated by High Throughput Combinatorial Growth Technique

    Science.gov (United States)

    Ma, Z. X.; Hao, H. Y.; Xiao, P.; Oehlerking, L. J.; Liu, D. F.; Zhang, X. J.; Yu, K.-M.; Walukiewicz, W.; Mao, S. S.; Yu, P. Y.; Liu, Lei; Yu, Peter Y.

    2011-12-01

    High energy radiation detector operating at room temperature requires the semiconductors having band-gap energies in the range of 1.35 ˜ 2.5 eV, high Z and high carrier mobility-lifetime (μτ) product. We report here the screening of the band-gap energies of compound semiconductor CdIn2Se4 and ZnCdS doped with Sn and In, prepared by high throughput combinatorial growth technique. It is found that the band-gap energies decrease as [Cd] decreases in Cd1-xIn2+2xSe4+2x, and as In or Sn elements are incorporated in ZnxCd1-xS. For both libraries, the μτ can reach a value on the order of 10-4 cm2/V. These results have demonstrated the strong capability of the combinatorial growth technique in rapid material discovery for room temperature radiation detector applications.

  17. 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.

  18. Plasmonic band gap cavities on biharmonic gratings

    Science.gov (United States)

    Kocabas, Askin; Seckin Senlik, S.; Aydinli, Atilla

    2008-05-01

    In this paper, we have experimentally demonstrated the formation of plasmonic band gap cavities in infrared and visible wavelength range. The cavity structure is based on a biharmonic metallic grating with selective high dielectric loading. A uniform metallic grating structure enables strong surface plasmon polariton (SPP) excitation and a superimposed second harmonic component forms a band gap for the propagating SPPs. We show that a high dielectric superstructure can dramatically perturb the optical properties of SPPs and enables the control of the plasmonic band gap structure. Selective patterning of the high index superstructure results in an index contrast in and outside the patterned region that forms a cavity. This allows us to excite the SPPs that localize inside the cavity at specific wavelengths, satisfying the cavity resonance condition. Experimentally, we observe the formation of a localized state in the band gap and measure the dispersion diagram. Quality factors as high as 37 have been observed in the infrared wavelength. The simplicity of the fabrication and the method of testing make this approach attractive for applications requiring localization of propagating SPPs.

  19. Excited-State Photophysics in a Low Band Gap Polymer with High Photovoltaic Efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Stephen A. [Univ. of North Carolina, Chapel Hill, NC (United States); Stuart, Andrew C. [Univ. of North Carolina, Chapel Hill, NC (United States); Womick, Jordan M. [Univ. of North Carolina, Chapel Hill, NC (United States); Zhou, Huaxing [Univ. of North Carolina, Chapel Hill, NC (United States); You, Wei [Univ. of North Carolina, Chapel Hill, NC (United States); Moran, Andrew M. [Univ. of North Carolina, Chapel Hill, NC (United States)

    2010-12-27

    We report an experimental investigation of a newly synthesized polymer, PNDT-DTPyT, with a 1.55 eV band gap tuned for optimal photovoltaic performance. Several time-resolved optical spectroscopies are used to examine fundamental photophysics in pure polymer films. Clear signatures of a distribution in photoexcitation sizes are found in steady state absorption and fluorescence measurements conducted from 100 to 300 K. Electronic structure calculations are combined with an empirical model to establish that, on average, the excitations span less than two repeat units because of strong interactions with the surrounding environment. These strong vibronic interactions are attributed to the charge transfer nature of the excitation, which involves a significant change in the spatial charge distribution. Femtosecond transient grating (TG) measurements find energy transfer processes occurring with roughly 1 and 10 ps time constants. This distinction in time scales most likely has a geometric origin (e.g., processes involving stacked and nonstacked neighbors). Fluorescence quenching and TG experiments show that the addition of PCBM to blends composed of both PNDT-DTPyT and PCBM correlates with an increase in the charge separation efficiency following photoexcitation. This increase in charge separation efficiency is caused by a reduction in the average distance that photoexcitations in the polymer must traverse before injecting electrons into PCBM. Photovoltaic power conversion efficiencies measured for the films are consistent with this interpretation, where a maximum efficiency of 4.1% is found for the 1:1 blend of polymer and PCBM. Overall, the present study covers several fundamental processes taking place in photovoltaic devices from the primary events surrounding the creation of photoexcitations in the polymer to their deactivation at the PCBM interface.

  20. 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.

  1. New Material Transistor with Record-High Field-Effect Mobility among Wide-Band-Gap Semiconductors.

    Science.gov (United States)

    Shih, Cheng Wei; Chin, Albert

    2016-08-03

    At an ultrathin 5 nm, we report a new high-mobility tin oxide (SnO2) metal-oxide-semiconductor field-effect transistor (MOSFET) exhibiting extremely high field-effect mobility values of 279 and 255 cm(2)/V-s at 145 and 205 °C, respectively. These values are the highest reported mobility values among all wide-band-gap semiconductors of GaN, SiC, and metal-oxide MOSFETs, and they also exceed those of silicon devices at the aforementioned elevated temperatures. For the first time among existing semiconductor transistors, a new device physical phenomenon of a higher mobility value was measured at 45-205 °C than at 25 °C, which is due to the lower optical phonon scattering by the large SnO2 phonon energy. Moreover, the high on-current/off-current of 4 × 10(6) and the positive threshold voltage of 0.14 V at 25 °C are significantly better than those of a graphene transistor. This wide-band-gap SnO2 MOSFET exhibits high mobility in a 25-205 °C temperature range, a wide operating voltage of 1.5-20 V, and the ability to form on an amorphous substrate, rendering it an ideal candidate for multifunctional low-power integrated circuit (IC), display, and brain-mimicking three-dimensional IC applications.

  2. Surface band-gap narrowing in quantized electron accumulation layers.

    Science.gov (United States)

    King, P D C; Veal, T D; McConville, C F; Zúñiga-Pérez, J; Muñoz-Sanjosé, V; Hopkinson, M; Rienks, E D L; Jensen, M Fuglsang; Hofmann, Ph

    2010-06-25

    An energy gap between the valence and the conduction band is the defining property of a semiconductor, and the gap size plays a crucial role in the design of semiconductor devices. We show that the presence of a two-dimensional electron gas near to the surface of a semiconductor can significantly alter the size of its band gap through many-body effects caused by its high electron density, resulting in a surface band gap that is much smaller than that in the bulk. Apart from reconciling a number of disparate previous experimental findings, the results suggest an entirely new route to spatially inhomogeneous band-gap engineering.

  3. Highly effective strain-induced band-engineering of (111) oriented, direct-gap GeSn crystallized on amorphous SiO2 layers

    Science.gov (United States)

    Li, Haofeng; Wang, Xiaoxin; Liu, Jifeng

    2016-03-01

    We demonstrate highly effective strain-induced band-engineering of (111) oriented direct-gap Ge1-xSnx thin films (0.074 GeSn films also demonstrate high thermal stability, offering both excellent direct-gap optoelectronic properties and fabrication/operation robustness for integrated photonics.

  4. 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.

  5. Novel wide band gap materials for highly efficient thin film tandem solar cells. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hardin, Brian E.; Connor, Stephen T.; Peters, Craig H.

    2012-06-11

    Tandem solar cells (TSCs), which use two or more materials to absorb sunlight, have achieved power conversion efficiencies of >25% versus 11-20% for commercialized single junction solar cell modules. The key to widespread commercialization of TSCs is to develop the wide-band, top solar cell that is both cheap to fabricate and has a high open-circuit voltage (i.e. >1V). Previous work in TSCs has generally focused on using expensive processing techniques with slow growth rates resulting in costs that are two orders of magnitude too expensive to be used in conventional solar cell modules. The objective of the PLANT PV proposal was to investigate the feasibility of using Ag(In,Ga)Se2 (AIGS) as the wide-bandgap absorber in the top cell of a thin film tandem solar cell (TSC). Despite being studied by very few in the solar community, AIGS solar cells have achieved one of the highest open-circuit voltages within the chalcogenide material family with a Voc of 949 mV when grown with an expensive processing technique (i.e. Molecular Beam Epitaxy). PLANT PV's goal in Phase I of the DOE SBIR was to (1) develop the chemistry to grow AIGS thin films via solution processing techniques to reduce costs and (2) fabricate new device architectures with high open-circuit voltage to produce full tandem solar cells in Phase II. PLANT PV attempted to translate solution processing chemistries that were successful in producing >12% efficient Cu(In,Ga)Se2 solar cells by replacing copper compounds with silver. The main thrust of the research was to determine if it was possible to make high quality AIGS thin films using solution processing and to fully characterize the materials properties. PLANT PV developed several different types of silver compounds in an attempt to fabricate high quality thin films from solution. We found that silver compounds that were similar to the copper based system did not result in high quality thin films. PLANT PV was able to deposit AIGS

  6. 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...... in photovoltaic applications and give a tabular overview of rarely applied materials....

  7. Enhancement of photovoltage of dye-sensitized solid-state solar cells by introducing high-band-gap oxide layers

    Energy Technology Data Exchange (ETDEWEB)

    Bandara, J.; Weerasinghe, H.C. [Institute of Fundamental Studies, Department of Photochemistry, Hantana Road, Kandy (Sri Lanka)

    2005-09-15

    Electrodes constructed using nanocrystalline TiO{sub 2} particulates for dye-sensitized solid-state solar cells (SS-DSSCs) showed open-circuit voltage (V{sub oc}) in the 500-600mV range, which is less than the theoretical expected value. Incorporation of high-band-gap semiconducting oxides with a flatband potential higher than TiO{sub 2}, such as SrTiO{sub 3} or ZnO, results in a dramatic increase in V{sub oc} of SS-DSSC as compared to porous TiO{sub 2} nanocrystalline films. The observed photovoltage difference could be correlated to the difference in the flatband potential values of the respective oxides and shift of the flatband potentials of the oxide films. Hence, this method could be used to enhance the V{sub oc} and overall cell performance of SS-DSSC.

  8. 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...

  9. Evidence of intrinsic ambipolar charge transport in a high band gap organic semiconductor

    OpenAIRE

    Moreno, César; Pfattner, Raphael; Mas-Torrent, Marta; Puigdollers, Joaquim; Bromley, Stefan T.; Rovira, Concepció; Veciana, Jaume; Alcubilla, Ramón

    2012-01-01

    Theoretical and experimental investigations combining in situ Kelvin probe microscopy (KPM) and macroscopic electrical studies are employed to explore the intrinsic transport in dithiophene-tetrathiafulvalene (DT-TTF) single crystal organic field-effect transistors. Our work demonstrates that ambipolar behavior is not restricted only to materials possessing a high electron affinity and thus may be a more general phenomenon. Peer Reviewed

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

    DEFF Research Database (Denmark)

    Kouchaki, Alireza

    2016-01-01

    . 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...

  11. Solid state dielectric screening versus band gap trends and implications

    Science.gov (United States)

    Ravichandran, Ram; Wang, Alan X.; Wager, John F.

    2016-10-01

    High-frequency (optical) and low-frequency (static) dielectric constant versus band gap trends, as well as index of refraction versus band gap trends are plotted for 107 inorganic semiconductors and insulators. These plots are describable via power-law fitting. Dielectric screening trends that emerge from this analysis have important optical and electronic implications. For example, barrier lowering during Schottky emission, phonon-assisted or Fowler-Nordheim tunneling, or Frenkel-Poole emission from a trap is found to be significantly more pronounced with increasing band gap due to a reduction in the optical dielectric constant with increasing band gap. The decrease in the interface state density with increasing band gap is another optical dielectric constant trend. The tendency for a material with a wider band gap to be more difficult to dope is attributed to an increase in the ionization energy of the donor or acceptor dopant, which in turn, depends on the optical dielectric constant and the effective mass. Since the effective mass for holes is almost always larger than that for electrons, p-type doping is more challenging than n-type doping in a wide band gap material. Finally, the polar optical phonon-limited mobility depends critically upon the reciprocal difference of the optical and the static dielectric constant. Consequently, electron and hole mobility tend to decrease with increasing band gap in a polar material.

  12. Evidence of intrinsic ambipolar charge transport in a high band gap organic semiconductor

    OpenAIRE

    Moreno Sierra, César; Pfattner, Raphael; Mas-Torrent, Marta; Puigdollers-González, Joaquim; Bromley, Stefan T.; Rovira Angulo, Concepció; Veciana Miró, Jaume; Alcubilla-González, Ramón

    2012-01-01

    Theoretical and experimental investigations combining in situ Kelvin probe microscopy (KPM) and macroscopic electrical studies are employed to explore the intrinsic transport in dithiophene-tetrathiafulvalene (DT-TTF) single crystal organic field-effect transistors. Our work demonstrates that ambipolar behavior is not restricted only to materials possessing a high electron affinity and thus may be a more general phenomenon. © 2012 The Royal Society of Chemistry.

  13. Modification in band gap of zirconium complexes

    Science.gov (United States)

    Sharma, Mayank; Singh, J.; Chouhan, S.; Mishra, A.; Shrivastava, B. D.

    2016-05-01

    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.

  14. 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.

  15. Band gaps in bubble phononic crystals

    Directory of Open Access Journals (Sweden)

    V. Leroy

    2016-12-01

    Full Text Available We investigate the interaction between Bragg and hybridization effects on the band gap properties of bubble phononic crystals. These latter consist of air cavities periodically arranged in an elastomer matrix and are fabricated using soft-lithography techniques. Their transmission properties are affected by Bragg effects due to the periodicity of the structure as well as hybridization between the propagating mode of the embedding medium and bubble resonance. The hybridization gap survives disorder while the Bragg gap requires a periodic distribution of bubbles. The distance between two bubble layers can be tuned to make the two gaps overlap or to create a transmission peak in the hybridization gap.

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

    DEFF Research Database (Denmark)

    Kouchaki, Alireza

    2016-01-01

    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...... power devices. Therefore, the PFC switching frequency using WBG devices can potentially be increased. This advantage helps the reactive components to be reduced in size. However, it also brings challenges such as identifying a proper material for inductive components that has lower loss and layout....... 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...

  17. Sizable band gap in organometallic topological insulator

    Science.gov (United States)

    Derakhshan, V.; Ketabi, S. A.

    2017-01-01

    Based on first principle calculation when Ceperley-Alder and Perdew-Burke-Ernzerh type exchange-correlation energy functional were adopted to LSDA and GGA calculation, electronic properties of organometallic honeycomb lattice as a two-dimensional topological insulator was calculated. In the presence of spin-orbit interaction bulk band gap of organometallic lattice with heavy metals such as Au, Hg, Pt and Tl atoms were investigated. Our results show that the organometallic topological insulator which is made of Mercury atom shows the wide bulk band gap of about ∼120 meV. Moreover, by fitting the conduction and valence bands to the band-structure which are produced by Density Functional Theory, spin-orbit interaction parameters were extracted. Based on calculated parameters, gapless edge states within bulk insulating gap are indeed found for finite width strip of two-dimensional organometallic topological insulators.

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

    Science.gov (United States)

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

    2016-02-01

    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

  19. 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.

  20. Application of Novel High Order Time Domain Vector Finite Element Method to Photonic Band-Gap Waveguides

    Energy Technology Data Exchange (ETDEWEB)

    Rieben, R; White, D; Rodrigue, G

    2004-01-13

    In this paper we motivate the use of a novel high order time domain vector finite element method that is of arbitrary order accuracy in space and up to 5th order accurate in time; and in particular, we apply it to the case of photonic band-gap (PBG) structures. Such structures have been extensively studied in the literature with several practical applications; in particular, for the low loss transmission of electromagnetic energy around sharp 90 degree bends [1]. Typically, such structures are simulated via a numerical solution of Maxwell's equations either in the frequency domain or directly in the time domain over a computational grid. The majority of numerical simulations performed for such structures make use of the widely popular finite difference time domain (FDTD) method [2], where the time dependent electric and magnetic fields are discretized over a ''dual'' grid to second order accuracy in space and time. However, such methods do not generalize to unstructured, non-orthogonal grids or to higher order spatial discretization schemes. To simulate more complicated structures with curved boundaries, such as the structure of [3], a cell based finite element method with curvilinear elements is preferred over standard stair-stepped Cartesian meshes; and to more efficiently reduce the effects of numerical dispersion, a higher order method is highly desirable. In this paper, the high order basis functions of [5] are used in conjunction with the high order energy conserving symplectic time integration algorithms of [6] resulting in a high order, fully mimetic, mixed vector finite element method.

  1. Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene

    DEFF Research Database (Denmark)

    Jørgensen, Jakob Holm; Grubisic Cabo, Antonija; Balog, Richard;

    2016-01-01

    Band gap engineering in hydrogen functionalized graphene is demonstrated by changing the symmetry of the functionalization structures. Small differences in hydrogen adsorbate binding energies on graphene on Ir(111) allow tailoring of highly periodic functionalization structures favoring one disti...

  2. 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'] di...

  3. Estimation of the band gap of InPO4

    Science.gov (United States)

    Wager, J. F.; Wilmsen, C. W.; Kazmerski, L. L.

    1983-04-01

    The band gap of a thin layer of InPO4 was estimated to be 4.5 eV using a novel approach employing ultraviolet photoelectron spectroscopy and electron energy loss spectroscopy. The technique measures the conduction-band minimum and valence-band maximum referenced to the In 4d core line energy. Since this technique is highly surface sensitive, it can be used to measure the band gap of a thin layer. This parameter is difficult to measure in such layers using conventional techniques.

  4. Maximizing band gaps in plate structures

    DEFF Research Database (Denmark)

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

    2006-01-01

    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...... 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...

  5. Band Gap Narrowing in Heavily Doped Silicon.

    Science.gov (United States)

    Gupta, Tapan Kumar

    Two analytic models for transport and band gap narrowing in heavily doped (N_{rm D} > 10^{20} cm^ {-3}) silicon have been set up and verified through measurements on n^{+} -p junction devices. The first model is based on calculation of the ratio of the charge present in the emitter of the n^{+} region of the junction to that of the charge present in the absence of band gap shrinkage. Fermi-Dirac statistics are employed and are found to have a significant effect at this doping level. The second model is based on current transport of minority carriers in the n^{+} region. In this model only two parameters need to be known, the diffusion coefficient and the diffusion length for minority carriers, to calculate the band gap narrowing. An empirical relation between band gap narrowing and donor concentration has also been established based on experimental values of diffusion coefficient and mobility. These models have been verified by several different experimental techniques including surface photovoltage, open circuit voltage decay, photoconductivity decay and modulation reflection spectroscopy. The results indicate that, in the impurity range above about 10^{20} cm^{-3}, Fermi-Dirac statistics must be invoked in order to achieve a satisfactory fit with experimental data.

  6. Photonic band gap in thin wire metamaterials.

    Science.gov (United States)

    Hock, Kai Meng

    2008-03-01

    We investigate the band structure of a class of photonic crystals made from only thin wires. Using a different method, we demonstrate that a complete photonic band gap is possible for such materials. Band gap materials normally consist of space filling dielectric or metal, whereas thin wires occupy a very small fraction of the volume. We show that this is related to the large increase in scattering at the Brillouin zone boundary. The method we developed brings together the calculation techniques in three different fields. The first is the calculation of scattering from periodic, tilted antennas, which we improve upon. The second is the standard technique for frequency selective surface design. The third is obtained directly from low energy electron diffraction theory. Good agreements with experiments for left handed materials, negative materials, and frequency selective surfaces are demonstrated.

  7. Atomic and electronic structures evolution of the narrow band gap semiconductor Ag2Se under high pressure

    Science.gov (United States)

    Naumov, P.; Barkalov, O.; Mirhosseini, H.; Felser, C.; Medvedev, S. A.

    2016-09-01

    Non-trivial electronic properties of silver telluride and other chalcogenides, such as the presence of a topological insulator state, electronic topological transitions, metallization, and the possible emergence of superconductivity under pressure have attracted attention in recent years. In this work, we studied the electronic properties of silver selenide (Ag2Se). We performed direct current electrical resistivity measurements, in situ Raman spectroscopy, and synchrotron x-ray diffraction accompanied by ab initio calculations to explore pressure-induced changes to the atomic and electronic structure of Ag2Se. The temperature dependence of the electrical resistivity was measured up to 30 GPa in the 4-300 K temperature interval. Resistivity data showed an unusual increase in the thermal energy gap of phase I, which is a semiconductor under ambient conditions. Recently, a similar effect was reported for the 3D topological insulator Bi2Se3. Raman spectroscopy studies revealed lattice instability in phase I indicated by the softening of observed vibrational modes with pressure. Our hybrid functional band structure calculations predicted that phase I of Ag2Se would be a narrow band gap semiconductor, in accordance with experimental results. At a pressure of ~7.5 GPa, Ag2Se underwent a structural transition to phase II with an orthorhombic Pnma structure. The temperature dependence of the resistivity of Ag2Se phase II demonstrated its metallic character. Ag2Se phase III, which is stable above 16.5 GPa, is also metallic according to the resistivity data. No indication of the superconducting transition is found above 4 K in the studied pressure range.

  8. Molecular doping and band-gap opening of bilayer graphene.

    Science.gov (United States)

    Samuels, Alexander J; Carey, J David

    2013-03-26

    The ability to induce an energy band gap in bilayer graphene is an important development in graphene science and opens up potential applications in electronics and photonics. Here we report the emergence of permanent electronic and optical band gaps in bilayer graphene upon adsorption of π electron containing molecules. Adsorption of n- or p-type dopant molecules on one layer results in an asymmetric charge distribution between the top and bottom layers and in the formation of an energy gap. The resultant band gap scales linearly with induced carrier density though a slight asymmetry is found between n-type dopants, where the band gap varies as 47 meV/10(13) cm(-2), and p-type dopants where it varies as 40 meV/10(13) cm(-2). Decamethylcobaltocene (DMC, n-type) and 3,6-difluoro-2,5,7,7,8,8-hexacyano-quinodimethane (F2-HCNQ, p-type) are found to be the best molecules at inducing the largest electronic band gaps up to 0.15 eV. Optical adsorption transitions in the 2.8-4 μm region of the spectrum can result between states that are not Pauli blocked. Comparison is made between the band gaps calculated from adsorbate-induced electric fields and from average displacement fields found in dual gate bilayer graphene devices. A key advantage of using molecular adsorption with π electron containing molecules is that the high binding energy can induce a permanent band gap and open up possible uses of bilayer graphene in mid-infrared photonic or electronic device applications.

  9. Band gap opening in graphene: a short theoretical study

    Science.gov (United States)

    Sahu, Sivabrata; Rout, G. C.

    2017-03-01

    Graphene, being a gapless semiconductor, cannot be used in pristine form for nano-electronic applications. Therefore, it is essential to generate a finite gap in the energy dispersion at Dirac point. We present here the tight-binding model Hamiltonian taking into account of various interactions for tuning band gap in graphene. The model Hamiltonian describes the hopping of the π-electrons up to third nearest-neighbours, substrate effects, Coulomb interaction at two sub-lattices, electron-phonon interaction in graphene-on-substrates and high phonon frequency vibrations, besides the bi-layer graphene. We have solved the Hamiltonian using Zubarev's double time single particle Green's function technique. The quasi-particle energies, electron band dispersions, the expression for effective band gap and the density of states (DOS) are calculated numerically. The results are discussed by varying different model parameters of the system. It is observed that the electron DOS and band dispersion exhibit linear energy dependence near Dirac point for nearest-neighbour hopping integral. However, the second and third nearest-neighbour hoppings provide asymmetry in DOS. The band dispersions exhibit wider band gaps with stronger substrate effect. The modified gap in graphene-on-substrate attains its maximum value for Coulomb interaction energy U_{C} = 1.7 t1 . The critical Coulomb interaction is enhanced to U_{C} = 2.5 t1 to produce maximum band gap in the presence of electron-phonon interaction and phonon vibration. The bi-layer graphene exhibits Mexican hat type band gap near Dirac point for transverse gating potential. The other conclusions for the present work are described in the text.

  10. Toward an Impurity Band PV: Dynamics of Carriers Generated via Sub-band gap Photons

    Science.gov (United States)

    Sullivan, Joseph; Simmons, Christie; Akey, Austin; Aziz, Michael; Buonassisi, Tonio

    2013-03-01

    Intermediate band solar cells are a pathway to cells that surpass the Shockley-Queisser limit by enabling the utilization of sub-band gap photons. A proposed method for fabricating an intermediate band material is to use impurities that introduce electronic levels within the band gap. At sufficiently high dopant concentrations, band formation may lead to a suppression of Shockley-Reed-Hall recombination, an idea known as ``lifetime recovery''. We investigate a proposed intermediate band material, silicon hyper-doped with sulfur. This material system exhibits strong sub-band gap optical absorption and metallic conductivity at sufficiently high sulfur concentrations, which makes it a strong candidate for an impurity-band material. We employ low-temperature photoconductivity using sub-band gap light to estimate the trapping rate of electrons in the conduction band. We vary the sulfur concentration near the critical value for the metal-insulator transition to test the idea of ``lifetime recovery'' in the S:Si system.

  11. Diluted magnetic semiconductors with narrow band gaps

    Science.gov (United States)

    Gu, Bo; Maekawa, Sadamichi

    2016-10-01

    We propose a method to realize diluted magnetic semiconductors (DMSs) with p - and n -type carriers by choosing host semiconductors with a narrow band gap. By employing a combination of the density function theory and quantum Monte Carlo simulation, we demonstrate such semiconductors using Mn-doped BaZn2As2 , which has a band gap of 0.2 eV. In addition, we found a nontoxic DMS Mn-doped BaZn2Sb2 , of which the Curie temperature Tc is predicted to be higher than that of Mn-doped BaZn2As2 , the Tc of which was up to 230 K in a recent experiment.

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

    CERN Document Server

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

    2015-01-01

    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 TiO$_{2}$ based photonic crystals. The obtained structures show remarkable optical properties in the near-infrared region with almost perfect sp...

  13. Nanocrystalline ZnON; High mobility and low band gap semiconductor material for high performance switch transistor and image sensor application

    Science.gov (United States)

    Lee, Eunha; Benayad, Anass; Shin, Taeho; Lee, HyungIk; Ko, Dong-Su; Kim, Tae Sang; Son, Kyoung Seok; Ryu, Myungkwan; Jeon, Sanghun; Park, Gyeong-Su

    2014-01-01

    Interest in oxide semiconductors stems from benefits, primarily their ease of process, relatively high mobility (0.3–10 cm2/vs), and wide-bandgap. However, for practical future electronic devices, the channel mobility should be further increased over 50 cm2/vs and wide-bandgap is not suitable for photo/image sensor applications. The incorporation of nitrogen into ZnO semiconductor can be tailored to increase channel mobility, enhance the optical absorption for whole visible light and form uniform micro-structure, satisfying the desirable attributes essential for high performance transistor and visible light photo-sensors on large area platform. Here, we present electronic, optical and microstructural properties of ZnON, a composite of Zn3N2 and ZnO. Well-optimized ZnON material presents high mobility exceeding 100 cm2V−1s−1, the band-gap of 1.3 eV and nanocrystalline structure with multiphase. We found that mobility, microstructure, electronic structure, band-gap and trap properties of ZnON are varied with nitrogen concentration in ZnO. Accordingly, the performance of ZnON-based device can be adjustable to meet the requisite of both switch device and image-sensor potentials. These results demonstrate how device and material attributes of ZnON can be optimized for new device strategies in display technology and we expect the ZnON will be applicable to a wide range of imaging/display devices. PMID:24824778

  14. Novel approaches for wide band gap solar cells

    Science.gov (United States)

    Montgomery, Kyle H.

    Multijunction solar cells consisting of three, series-connected, p-n junctions represent the state-of-the-art in high efficiency solar cells, with record conversion efficiencies reaching >42% under concentrated sunlight. In the next step towards reaching ultra-high efficiencies of >50%, more junctions can be added. A model has been developed which shows optimized 4+ junction devices need a top subcell with a band gap of 2 to 2.2 eV. Due to several limiting factors, including lattice matching, compatibility with current-generation technologies, and doping limitations, few options are currently available for this wide band gap solar cell. In this work, novel approaches to deal with this problem were developed. First, while GaP has the potential for growth on low-cost Si substrates, it has typically been plagued by high surface recombination and low minority carrier lifetimes. A method was developed to improve the latter, by gettering in an Al-Ga melt at 975°C, resulting in a near doubling of the quantum efficiency across a range of wavelengths. Second, the heterovalent alloy ZnSe-GaAs was investigated both by LPE growth of the physical alloy and a superlattice-based "digital alloy.'' Given that ZnSe, a direct band gap material with a band gap of 2.67 eV, is lattice-matched to GaAs, with a band gap of 1.42 eV, a ZnSe-GaAs alloy has the potential to be engineered with the desired band gap and grown with minimal dislocations. Third, the metal-insulator-semiconductor (MIS) solar cell was revisited with particular focus on use with III-V materials. For this study, the application to Al/p-GaAs Schottky diodes was explored, resulting in a barrier height approaching 1 eV.

  15. GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement.

    Science.gov (United States)

    Jing, Yu; Ma, Yandong; Li, Yafei; Heine, Thomas

    2017-03-08

    We propose a two-dimensional crystal that possesses low indirect band gaps of 0.55 eV (monolayer) and 0.43 eV (bilayer) and high carrier mobilities similar to those of phosphorene, GeP3. GeP3 has a stable three-dimensional layered bulk counterpart, which is metallic and known from experiment since 1970. GeP3 monolayer has a calculated cleavage energy of 1.14 J m(-2), which suggests exfoliation of bulk material as viable means for the preparation of mono- and few-layer materials. The material shows strong interlayer quantum confinement effects, resulting in a band gap reduction from mono- to bilayer, and then to a semiconductor-metal transition between bi- and triple layer. Under biaxial strain, the indirect band gap can be turned into a direct one. Pronounced light absorption in the spectral range from ∼600 to 1400 nm is predicted for monolayer and bilayer and promises applications in photovoltaics.

  16. High-crystalline medium-band-gap polymers consisting of benzodithiophene and benzotriazole derivatives for organic photovoltaic cells.

    Science.gov (United States)

    Kim, Ji-Hoon; Song, Chang Eun; Shin, Nara; Kang, Hyunbum; Wood, Sebastian; Kang, In-Nam; Kim, Bumjoon J; Kim, Bongsoo; Kim, Ji-Seon; Shin, Won Suk; Hwang, Do-Hoon

    2013-12-26

    Two semiconducting conjugated polymers were synthesized via Stille polymerization. The structures combined unsubstituted or (triisopropylsilyl)ethynyl (TIPS)-substituted 2,6-bis(trimethylstannyl)benzo[1,2-b:4.5-b']dithiophene (BDT) as a donor unit and benzotriazole with a symmetrically branched alkyl side chain (DTBTz) as an acceptor unit. We investigated the effects of the different BDT moieties on the optical, electrochemical, and photovoltaic properties of the polymers and the film crystallinities and carrier mobilities. The optical-band-gap energies were measured to be 1.97 and 1.95 eV for PBDT-DTBTz and PTIPSBDT-DTBTz, respectively. Bulk heterojunction photovoltaic devices were fabricated and power conversion efficiencies of 5.5% and 2.9% were found for the PTIPSBDT-DTBTz- and PBDT-DTBTz-based devices, respectively. This difference was explained by the more optimal morphology and higher carrier mobility in the PTIPSBDT-DTBTz-based devices. This work demonstrates that, under the appropriate processing conditions, TIPS groups can change the molecular ordering and lower the highest occupied molecular orbital level, providing the potential for improved solar cell performance.

  17. The band-gap enhanced photovoltaic structure

    Science.gov (United States)

    Tessler, Nir

    2016-05-01

    We critically examine the recently suggested structure that was postulated to potentially add 50% to the photo-conversion efficiency of organic solar cells. We find that the structure could be realized using stepwise increase in the gap as long as the steps are not above 0.1 eV. We also show that the charge extraction is not compromised due to an interplay between the contact's space charge and the energy level modification, which result in a flat energy band at the extracting contact.

  18. Single phase 3D phononic band gap material.

    Science.gov (United States)

    Warmuth, Franziska; Wormser, Maximilian; Körner, Carolin

    2017-06-19

    Phononic band gap materials are capable of prohibiting the propagation of mechanical waves in certain frequency ranges. Band gaps are produced by combining different phases with different properties within one material. In this paper, we present a novel cellular material consisting of only one phase with a phononic band gap. Different phases are modelled by lattice structure design based on eigenmode analysis. Test samples are built from a titanium alloy using selective electron beam melting. For the first time, the predicted phononic band gaps via FEM simulation are experimentally verified. In addition, it is shown how the position and extension of the band gaps can be tuned by utilizing knowledge-based design.

  19. High efficiency a-Si:H/a-SiGe:H tandem solar cells fabricated with the combination of V- and U-shaped band gap profiling techniques

    Science.gov (United States)

    Inthisang, Sorapong; Krajangsang, Taweewat; Hongsingthong, Aswin; Limmanee, Amornrat; Kittisontirak, Songkiate; Jaroensathainchok, Suttinan; Moolakorn, Apichan; Dousse, Adrien; Sritharathikhun, Jaran; Sriprapha, Kobsak

    2015-08-01

    Hydrogenated amorphous silicon germanium (a-SiGe:H) films prepared by very high frequency plasma-enhanced chemical vapor deposition (VHF-PECVD) using a mixture of SiH4, H2, and GeH4 were investigated for their use as the bottom cell of amorphous silicon/amorphous silicon germanium (a-Si:H/a-SiGe:H) tandem solar cell structures. Narrow optical band gaps (Eopt) in the range of 1.5 to 1.6 eV were obtained by varying the GeH4/(SiH4 + GeH4) gas flow rate ratio in low-temperature deposition. The a-SiGe:H films deposited with various GeH4/(SiH4 + GeH4) gas flow rate ratios were used as intrinsic layers for the a-Si:H/a-SiGe:H tandem solar cells with different graded band gaps: V-, VU-, and U-shapes. It was found that using the VU-shape improves the solar cell efficiency owing to a higher Jsc when compared with using V-shape. The VU-shape’s Voc and FF are also improved when compared with the U-shape’s Voc and FF. As a result, a high efficiency of 11.0% (Voc = 1.74 V, Jsc = 9.07 mA/cm2, and FF = 0.70) was successfully achieved with the solar cells fabricated using the VU-shape graded band gap technique.

  20. Electroluminescence from indirect band gap semiconductor ReS2

    Science.gov (United States)

    Gutiérrez-Lezama, Ignacio; Aditya Reddy, Bojja; Ubrig, Nicolas; Morpurgo, Alberto F.

    2016-12-01

    It has been recently claimed that bulk crystals of transition metal dichalcogenide (TMD) ReS2 are direct band gap semiconductors, which would make this material an ideal candidate, among all TMDs, for the realization of efficient opto-electronic devices. The situation is however unclear, because even more recently an indirect transition in the PL spectra of this material has been detected, whose energy is smaller than the supposed direct gap. To address this issue we exploit the properties of ionic liquid gated field-effect transistors (FETs) to investigate the gap structure of bulk ReS2. Using these devices, whose high quality is demonstrated by a record high electron FET mobility of 1100 cm2 V-1 s-1 at 4 K, we can induce hole transport at the surface of the material and determine quantitatively the smallest band gap present in the material, irrespective of its direct or indirect nature. The value of the band gap is found to be 1.41 eV, smaller than the 1.5 eV direct optical transition but in good agreement with the energy of the indirect optical transition, providing an independent confirmation that bulk ReS2 is an indirect band gap semiconductor. Nevertheless, contrary to the case of more commonly studied semiconducting TMDs (e.g., MoS2, WS2, etc) in their bulk form, we also find that ReS2 FETs fabricated on bulk crystals do exhibit electroluminescence when driven in the ambipolar injection regime, likely because the difference between direct and indirect gap is only 100 meV. We conclude that ReS2 does deserve more in-depth investigations in relation to possible opto-electronic applications.

  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. Progress towards fabrication of Th:229-doped high energy band-gap crystals for use as a solid-state optical frequency reference

    CERN Document Server

    Rellergert, Wade G; DeMille, D; Greco, R R; Hehlen, M P; Jackson, R A; Torgerson, J R; Hudson, Eric R

    2010-01-01

    We have recently described a novel method for the construction of a solid-state optical frequency reference based on doping $^{229}$Th into high energy band-gap crystals. Since nuclear transitions are far less sensitive to environmental conditions than atomic transitions, we have argued that the $^{229}$Th optical nuclear transition may be driven inside a host crystal resulting in an optical frequency reference with a short-term stability of $3\\times10^{-17}<\\Delta f/f <1\\times10^{-15}$ at 1 s and a systematic-limited repeatability of $\\Delta f/f \\sim 2 \\times 10^{-16}$. Improvement by $10^2-10^3$ of the constraints on the variability of several important fundamental constants also appears possible. Here we present the results of the first phase of these experiments. Specifically, we have evaluated several high energy band-gap crystals (Th:NaYF, Th:YLF, Th:LiCAF, Na$_2$ThF$_6$, LiSAF) for their suitability as a crystal host by a combination of electron beam microprobe measurements, Rutherford Backscatte...

  3. 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).

  4. Topological Design of Cellular Phononic Band Gap Crystals

    Directory of Open Access Journals (Sweden)

    Yang Fan Li

    2016-03-01

    Full Text Available This paper systematically investigated the topological design of cellular phononic crystals with a maximized gap size between two adjacent bands. Considering that the obtained structures may sustain a certain amount of static loadings, it is desirable to ensure the optimized designs to have a relatively high stiffness. To tackle this issue, we conducted a multiple objective optimization to maximize band gap size and bulk or shear modulus simultaneously with a prescribed volume fraction of solid material so that the resulting structures can be lightweight, as well. In particular, we first conducted the finite element analysis of the phononic band gap crystals and then adapted a very efficient optimization procedure to resolve this problem based on bi-directional evolutionary structure optimization (BESO algorithm in conjunction with the homogenization method. A number of optimization results for maximizing band gaps with bulk and shear modulus constraints are presented for out-of-plane and in-plane modes. Numerical results showed that the optimized structures are similar to those obtained for composite case, except that additional slim connections are added in the cellular case to support the propagation of shear wave modes and meanwhile to satisfy the prescribed bulk or shear modulus constraints.

  5. Study of indium nitride and indium oxynitride band gaps

    Directory of Open Access Journals (Sweden)

    M. Sparvoli

    2013-01-01

    Full Text Available This work shows the study of the optical band gap of indium oxynitride (InNO and indium nitride (InN deposited by magnetron reactive sputtering. InNO shows multi-functionality in electrical and photonic applications, transparency in visible range, wide band gap, high resistivity and low leakage current. The deposition processes were performed in a magnetron sputtering system using a four-inches pure In (99.999% target and nitrogen and oxygen as plasma gases. The pressure was kept constant at 1.33 Pa and the RF power (13.56 MHz constant at 250 W. Three-inches diameter silicon wafer with 370 micrometer thickness and resistivity in the range of 10 ohm-centimeter was used as substrate. The thin films were analyzed by UV-Vis-NIR reflectance, photoluminescence (PL and Hall Effect. The band gap was obtained from Tauc analysis of the reflectance spectra and photoluminescence. The band gap was evaluated for both films: for InNO the value was 2.48 eV and for InN, 1.52 eV. The relative quantities obtained from RBS spectra analysis in InNO sample are 48% O, 12% N, 40% In and in InN sample are 8% O, 65% N, 27% In.

  6. Photovoltaic properties of low band gap ferroelectric perovskite oxides

    Science.gov (United States)

    Huang, Xin; Paudel, Tula; Dong, Shuai; Tsymbal, Evgeny

    2015-03-01

    Low band gap ferroelectric perovskite oxides are promising for photovoltaic applications due to their high absorption in the visible optical spectrum and a possibility of having large open circuit voltage. Additionally, an intrinsic electric field present in these materials provides a bias for electron-hole separation without requiring p-n junctions as in conventional solar cells. High quality thin films of these compounds can be grown with atomic layer precision allowing control over surface and defect properties. Initial screening based on the electronic band gap and the energy dependent absorption coefficient calculated within density functional theory shows that hexagonal rare-earth manganites and ferrites are promising as photovoltaic absorbers. As a model, we consider hexagonal TbMnO3. This compound has almost ideal band gap of about 1.4 eV, very high ferroelectric Curie temperature, and can be grown epitaxially. Additionally hexagonal TbMnO3 offers possibility of coherent structure with transparent conductor ZnO. We find that the absorption is sufficiently high and dominated by interband transitions between the Mn d-bands. We will present the theoretically calculated photovoltaic efficiency of hexagonal TbMnO3 and explore other ferroelectric perovskite oxides.

  7. Hollow-Core Photonic Band Gap Fibers for Particle Acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Noble, Robert J.; Spencer, James E.; /SLAC; Kuhlmey, Boris T.; /Sydney U.

    2011-08-19

    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 pass-bands, 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 2-D 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 the first prototype PBG fibers specifically designed to support speed-of-light TM modes.

  8. Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene.

    Science.gov (United States)

    Jørgensen, Jakob Holm; Čabo, Antonija Grubišić; Balog, Richard; Kyhl, Line; Groves, Michael N; Cassidy, Andrew Martin; Bruix, Albert; Bianchi, Marco; Dendzik, Maciej; Arman, Mohammad Alif; Lammich, Lutz; Pascual, José Ignacio; Knudsen, Jan; Hammer, Bjørk; Hofmann, Philip; Hornekaer, Liv

    2016-12-27

    Band gap engineering in hydrogen functionalized graphene is demonstrated by changing the symmetry of the functionalization structures. Small differences in hydrogen adsorbate binding energies on graphene on Ir(111) allow tailoring of highly periodic functionalization structures favoring one distinct region of the moiré supercell. Scanning tunneling microscopy and X-ray photoelectron spectroscopy measurements show that a highly periodic hydrogen functionalized graphene sheet can thus be prepared by controlling the sample temperature (Ts) during hydrogen functionalization. At deposition temperatures of Ts = 645 K and above, hydrogen adsorbs exclusively on the HCP regions of the graphene/Ir(111) moiré structure. This finding is rationalized in terms of a slight preference for hydrogen clusters in the HCP regions over the FCC regions, as found by density functional theory calculations. Angle-resolved photoemission spectroscopy measurements demonstrate that the preferential functionalization of just one region of the moiré supercell results in a band gap opening with very limited associated band broadening. Thus, hydrogenation at elevated sample temperatures provides a pathway to efficient band gap engineering in graphene via the selective functionalization of specific regions of the moiré structure.

  9. Substrate-induced Band Gap Renormalization in Semiconducting Carbon Nanotubes

    Science.gov (United States)

    Lanzillo, Nicholas A.; Kharche, Neerav; Nayak, Saroj K.

    2014-01-01

    The quasiparticle band gaps of semiconducting carbon nanotubes (CNTs) supported on a weakly-interacting hexagonal boron nitride (h-BN) substrate are computed using density functional theory and the GW Approximation. We find that the direct band gaps of the (7,0), (8,0) and (10,0) carbon nanotubes are renormalized to smaller values in the presence of the dielectric h-BN substrate. The decrease in the band gap is the result of a polarization-induced screening effect, which alters the correlation energy of the frontier CNT orbitals and stabilizes valence band maximum and conduction band minimum. The value of the band gap renormalization is on the order of 0.25 to 0.5 eV in each case. Accounting for polarization-induced band gap changes is crucial in comparing computed values with experiment, since nanotubes are almost always grown on substrates. PMID:24402238

  10. Bi-directional evolutionary optimization for photonic band gap structures

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Fei [Centre for Innovative Structures and Materials, School of Civil, Environmental and Chemical Engineering, RMIT University, GPO Box 2476, Melbourne, VIC 3001 (Australia); School of Civil Engineering, Central South University, Changsha 410075 (China); Huang, Xiaodong, E-mail: huang.xiaodong@rmit.edu.au [Centre for Innovative Structures and Materials, School of Civil, Environmental and Chemical Engineering, RMIT University, GPO Box 2476, Melbourne, VIC 3001 (Australia); Key Laboratory of Advanced Technology for Vehicle Body Design & Manufacture, Hunan University, Changsha, 410082 (China); Jia, Baohua [Centre for Micro-Photonics, Faculty of Engineering & Industrial Science, Swinburne University of Technology, PO Box 218, Hawthorn, VIC 3122 (Australia)

    2015-12-01

    Toward an efficient and easy-implement optimization for photonic band gap structures, this paper extends the bi-directional evolutionary structural optimization (BESO) method for maximizing photonic band gaps. Photonic crystals are assumed to be periodically composed of two dielectric materials with the different permittivity. Based on the finite element analysis and sensitivity analysis, BESO starts from a simple initial design without any band gap and gradually re-distributes dielectric materials within the unit cell so that the resulting photonic crystal possesses a maximum band gap between two specified adjacent bands. Numerical examples demonstrated the proposed optimization algorithm can successfully obtain the band gaps from the first to the tenth band for both transverse magnetic and electric polarizations. Some optimized photonic crystals exhibit novel patterns markedly different from traditional designs of photonic crystals.

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

    Science.gov (United States)

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

    2016-08-10

    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 temperature is increased, the fundamental band gap increases instead of decreases. This anomalous thermal dependence has also been observed recently in its monolayer counterpart. In this work, based on ab initio calculations, we present an explanation for this long known and yet not fully explained effect. We show that it arises from a combination of harmonic and lattice thermal expansion contributions, which are in fact highly interwined. We clearly narrow down the mechanisms that cause this gap opening by identifying the peculiar atomic vibrations that drive the anomaly. The final picture we give explains both the BP anomalous band gap opening and the frequency increase with increasing volume (tension effect).

  12. The calculation of band gap energy in zinc oxide films

    Science.gov (United States)

    Arif, Ali; Belahssen, Okba; Gareh, Salim; Benramache, Said

    2015-01-01

    We investigated the optical properties of undoped zinc oxide thin films as the n-type semiconductor; the thin films were deposited at different precursor molarities by ultrasonic spray and spray pyrolysis techniques. The thin films were deposited at different substrate temperatures ranging between 200 and 500 °C. In this paper, we present a new approach to control the optical gap energy of ZnO thin films by concentration of the ZnO solution and substrate temperatures from experimental data, which were published in international journals. The model proposed to calculate the band gap energy with the Urbach energy was investigated. The relation between the experimental data and theoretical calculation suggests that the band gap energies are predominantly estimated by the Urbach energies, film transparency, and concentration of the ZnO solution and substrate temperatures. The measurements by these proposal models are in qualitative agreements with the experimental data; the correlation coefficient values were varied in the range 0.96-0.99999, indicating high quality representation of data based on Equation (2), so that the relative errors of all calculation are smaller than 4%. Thus, one can suppose that the undoped ZnO thin films are chemically purer and have many fewer defects and less disorder owing to an almost complete chemical decomposition and contained higher optical band gap energy.

  13. Analysis on Band Gaps of MCM-41 Type of Materials

    Institute of Scientific and Technical Information of China (English)

    HAN Pei-de; LIANG Jian; XU Bing-she; LIU Xu-guang; PENG Lian-mao

    2004-01-01

    The concept and analysis method of photonic crystals and band gaps are introduced into one-dimensional(1D) ordered mesoporous materials. MCM-41 type of materials are treated theoretically as photonic crystals. The formation of band gaps is exhibited and confirmed by a calculation of transfer matrix technique. PBG was found around 9-42 nm in soft X-ray region. The photonic band-gap was predicted to be dependent on incident direction, pore size and lattice constant. The mesoporous materials with different pore sizes and different lattice constants have different band-gap widths.

  14. Transient saturation absorption spectroscopy excited near the band gap at high excitation carrier density in GaAs

    Institute of Scientific and Technical Information of China (English)

    Wu Song-Jiang; Wang Dan-Ling; Jiang Hong-Bing; Yang Hong; Gong Qi-Huang; Ji Ya-Lin; Lu Wei

    2004-01-01

    @@ Transient saturation absorption spectroscopy in GaAs thin films was investigated using femtosecond pump and supercontinuum probe technique at excitation densities higher than 1× 1019 cm-3. The Coulomb enhancement factor of the electron-hole plasma results in a spectrum hole at the pump wavelength. Two distinct transmission peaks at two sides of the pump wavelength are observed, arising from the bleaching of transitions from the heavy- and light-hole bands to the conduction band. The dynamic process of the transient saturation absorption is fitted using a bi-exponential function. The fast decay process is dominated by the carrier-phonon scattering and the slow process may be attributed to the electron-hole recombination.

  15. Band gaps in grid structure with periodic local resonator subsystems

    Science.gov (United States)

    Zhou, Xiaoqin; Wang, Jun; Wang, Rongqi; Lin, Jieqiong

    2017-09-01

    The grid structure is widely used in architectural and mechanical field for its high strength and saving material. This paper will present a study on an acoustic metamaterial beam (AMB) based on the normal square grid structure with local resonators owning both flexible band gaps and high static stiffness, which have high application potential in vibration control. Firstly, the AMB with variable cross-section frame is analytically modeled by the beam-spring-mass model that is provided by using the extended Hamilton’s principle and Bloch’s theorem. The above model is used for computing the dispersion relation of the designed AMB in terms of the design parameters, and the influences of relevant parameters on band gaps are discussed. Then a two-dimensional finite element model of the AMB is built and analyzed in COMSOL Multiphysics, both the dispersion properties of unit cell and the wave attenuation in a finite AMB have fine agreement with the derived model. The effects of design parameters of the two-dimensional model in band gaps are further examined, and the obtained results can well verify the analytical model. Finally, the wave attenuation performances in three-dimensional AMBs with equal and unequal thickness are presented and discussed.

  16. Hydrogen production by tuning the photonic band gap with the electronic band gap of TiO₂.

    Science.gov (United States)

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

    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.

  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. Urbach's rule derived from thermal fluctuations in the band-gap energy

    DEFF Research Database (Denmark)

    Skettrup, Torben

    1978-01-01

    The exponential absorption edge (known as Urbach's rule) observed in most materials is interpreted in terms of thermal fluctuations in the band-gap energy. The main contribution to the temperature shift of the band-gap energy is due to the temperature-dependent self-energies of the electrons...... and holes interacting with the phonons. Since the phonon number is fluctuating in thermal equilibrium, the band-gap energy is also fluctuating resulting in an exponential absorption tail below the average band-gap energy. These simple considerations are applied to derive Urbach's rule at high temperatures...

  19. Designer disordered materials with large complete photonic band gaps

    CERN Document Server

    Florescu, Marian; Steinhardt, Paul J; 10.1073/pnas.0907744106

    2010-01-01

    We present designs of 2D isotropic, disordered photonic materials of arbitrary size with complete band gaps blocking all directions and polarizations. The designs with the largest gaps are obtained by a constrained optimization method that starts from a hyperuniform disordered point pattern, an array of points whose number variance within a spherical sampling window grows more slowly than the volume. We argue that hyperuniformity, combined with uniform local topology and short-range geometric order, can explain how complete photonic band gaps are possible without long-range translational order. We note the ramifications for electronic and phononic band gaps in disordered materials.

  20. Strain modulated band gap of edge passivated armchair graphene nanoribbons

    CERN Document Server

    Peng, Xihong

    2011-01-01

    First principles calculations were performed to study strain effects on band gap of armchair graphene nanoribbons (AGNRs)with different edge passivation, including H, O, and OH group. The band gap of the H-passivated AGNRs shows a nearly periodic zigzag variation under strain. For O and OH passivation, the zigzag patterns are significantly shifted by a modified quantum confinement due to the edges. In addition, the band gap of the O-passivated AGNRs experiences a direct-to-indirect transition with sufficient tensile strain (~5%). The indirect gap reduces to zero with further increased strain.

  1. Origin of multiple band gap values in single width nanoribbons

    Science.gov (United States)

    Goyal, Deepika; Kumar, Shailesh; Shukla, Alok; Kumar, Rakesh

    2016-11-01

    Deterministic band gap in quasi-one-dimensional nanoribbons is prerequisite for their integrated functionalities in high performance molecular-electronics based devices. However, multiple band gaps commonly observed in graphene nanoribbons of the same width, fabricated in same slot of experiments, remain unresolved, and raise a critical concern over scalable production of pristine and/or hetero-structure nanoribbons with deterministic properties and functionalities for plethora of applications. Here, we show that a modification in the depth of potential wells in the periodic direction of a supercell on relative shifting of passivating atoms at the edges is the origin of multiple band gap values in nanoribbons of the same width in a crystallographic orientation, although they carry practically the same ground state energy. The results are similar when calculations are extended from planar graphene to buckled silicene nanoribbons. Thus, the findings facilitate tuning of the electronic properties of quasi-one-dimensional materials such as bio-molecular chains, organic and inorganic nanoribbons by performing edge engineering.

  2. Characterization of all-glass photonic band gap fiber

    Science.gov (United States)

    Buczynski, Ryszard; Kujawa, Ireneusz; Lusawa, Marzenna; Pysz, Dariusz; Martynkien, Tadeusz; Berghmans, Francis; Nasilowski, Tomasz; Thienpont, Hugo; Stepien, Ryszard

    2008-12-01

    In this paper we report on the fabrication and characterization of a double glass micro-structured fiber with low index core and photonic cladding made of high index micro-rods. Micro rods are made of lead-oxide F2 commercially available glass (SCHOTT Inc.) with a refractive index nD=1.619, while as background we use a borosilicate NC21 glass with a refractive index nD=1.533. The fiber cladding is composed of 8 rings of F2 glass micro rods ordered in hexagonal lattice. A core is created by replacement of seven F2 rods with NC21 rods. A fabricated fiber has a linear filling factor of 0.75 and micro rods diameter of 1.2 μm. A core has a diameter of 3.7 μm while cladding and total fiber diameter are 42,6μm and 120 μm, respectively. Using supercontinuum source we have measured transmission properties of the fabricated fiber. Based on measurements of the fiber samples of 18-80 cm long we have identified two photonic band gaps. Fist band gap is localized in visible range at 610 nm central wavelength. The second broadband photonic band gap is localized in near infrared and it is 80 nm wide at 840 nm central wavelength.

  3. 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 CaF2:Ce/Tb nanocrystals (core-nanocrystals). The epitaxial growth of inert CaF2 and silica shell, respectively, on their surface forming as CaF2:Ce/Tb@CaF2 (core/shell) and CaF2:Ce/Tb@CaF2@SiO2 (core/shell/SiO2) 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 CaF2 nanocrystals show efficient energy transfer from Ce(3+) to Tb(3+) ion and strong green luminescence of Tb(3+) ion at 541 nm((5)D4→(7)F5). 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 CaF2:Ce/Tb nanoparticles via

  4. Molecular doping and band-gap opening of bilayer graphene.

    OpenAIRE

    Samuels, AJ; Carey, JD

    2013-01-01

    The ability to induce an energy band gap in bilayer graphene is an important development in graphene science and opens up potential applications in electronics and photonics. Here we report the emergence of permanent electronic and optical band gaps in bilayer graphene upon adsorption of π electron containing molecules. Adsorption of n- or p-type dopant molecules on one layer results in an asymmetric charge distribution between the top and bottom layers and in the formation of an energy gap. ...

  5. Band Gaps of an Amorphous Photonic Materials

    Institute of Scientific and Technical Information of China (English)

    WANG Yi-Quan; FENG Zhi-Fang; HU Xiao-Yong; CHENG Bing-Ying; ZHANG Dao-Zhong

    2004-01-01

    @@ A new kind of amorphous photonic materials is presented. Both the simulated and experimental results show that although the disorder of the whole dielectric structure is strong, the amorphous photonic materials have two photonic gaps. This confirms that the short-range order is an essential factor for the formation of the photonic gaps.

  6. The band gap and band offset in ultrathin oxide-semiconductor heterostructures

    Science.gov (United States)

    Schmeißer, D.; Henkel, K.; Bergholz, M.; Tallarida, M.

    2010-03-01

    In ultrathin high- k oxide layers knowledge of the band line up and band gap is essential for modeling the transport properties and to learn about a device's long term stability and reliability. However, such data are hard to determine in such ultrathin layers and usually are extrapolated from values for bulk samples or are taken from the literature. In our in situ approach we use electron energy loss spectroscopy, valence band photoelectron spectroscopy, X-ray absorption spectroscopy, and resonant inelastic X-ray scattering to obtain the loss function and the valence and conduction band densities of states. From such data we derive the values of the band offsets and of the band gap. We discuss the ability of this combination of different techniques for the analysis of such complex ultrathin dielectric systems and discuss in detail the properties of the native oxide in SiO 2/Si(001) and SiO 2/3C-SiC(001).

  7. Transport and stability studies on high band gap a-Si:H films prepared by argon dilution

    Indian Academy of Sciences (India)

    Purabi Gogoi; P N Dixit; Pratima Agarwal

    2008-02-01

    Device quality hydrogenated amorphous silicon films (a-Si:H) are deposited at a high deposition rate (4-5 Å/s) using a mixture of argon and hydrogen-diluted silane. The films exhibit good opto-electronic properties and show less degradation upon light soaking. Light-induced changes in conductivity could be annealed at much lower temperature. The presence of Ar* and atomic hydrogen in plasma replaces the weak Si-Si bonds, which are responsible for light-induced degradation by strong Si-Si bonds. This results in the improved stability of the films.

  8. Band gap scaling laws in group IV nanotubes

    Science.gov (United States)

    Wang, Chongze; Fu, Xiaonan; Guo, Yangyang; Guo, Zhengxiao; Xia, Congxin; Jia, Yu

    2017-03-01

    By using the first-principles calculations, the band gap properties of nanotubes formed by group IV elements have been investigated systemically. Our results reveal that for armchair nanotubes, the energy gaps at K points in the Brillouin zone decrease as 1/r scaling law with the radii (r) increasing, while they are scaled by ‑1/r 2 + C at Γ points, here, C is a constant. Further studies show that such scaling law of K points is independent of both the chiral vector and the type of elements. Therefore, the band gaps of nanotubes for a given radius can be determined by these scaling laws easily. Interestingly, we also predict the existence of indirect band gap for both germanium and tin nanotubes. Our new findings provide an efficient way to determine the band gaps of group IV element nanotubes by knowing the radii, as well as to facilitate the design of functional nanodevices.

  9. Broadening of effective photonic band gaps in biological chiral structures: From intrinsic narrow band gaps to broad band reflection spectra

    Science.gov (United States)

    Vargas, W. E.; Hernández-Jiménez, M.; Libby, E.; Azofeifa, D. E.; Solis, Á.; Barboza-Aguilar, C.

    2015-09-01

    Under normal illumination with non-polarized light, reflection spectra of the cuticle of golden-like and red Chrysina aurigans scarabs show a structured broad band of left-handed circularly polarized light. The polarization of the reflected light is attributed to a Bouligand-type left-handed chiral structure found through the scarab's cuticle. By considering these twisted structures as one-dimensional photonic crystals, a novel approach is developed from the dispersion relation of circularly polarized electromagnetic waves traveling through chiral media, to show how the broad band characterizing these spectra arises from an intrinsic narrow photonic band gap whose spectral position moves through visible and near-infrared wavelengths.

  10. Narrow Band Gap Lead Sulfide Hole Transport Layers for Quantum Dot Photovoltaics.

    Science.gov (United States)

    Zhang, Nanlin; Neo, Darren C J; Tazawa, Yujiro; Li, Xiuting; Assender, Hazel E; Compton, Richard G; Watt, Andrew A R

    2016-08-24

    The band structure of colloidal quantum dot (CQD) bilayer heterojunction solar cells is optimized using a combination of ligand modification and QD band gap control. Solar cells with power conversion efficiencies of up to 9.33 ± 0.50% are demonstrated by aligning the absorber and hole transport layers (HTL). Key to achieving high efficiencies is optimizing the relative position of both the valence band and Fermi energy at the CQD bilayer interface. By comparing different band gap CQDs with different ligands, we find that a smaller band gap CQD HTL in combination with a more p-type-inducing CQD ligand is found to enhance hole extraction and hence device performance. We postulate that the efficiency improvements observed are largely due to the synergistic effects of narrower band gap QDs, causing an upshift of valence band position due to 1,2-ethanedithiol (EDT) ligands and a lowering of the Fermi level due to oxidation.

  11. Optimum design of band-gap beam structures

    DEFF Research Database (Denmark)

    Olhoff, Niels; Niu, Bin; Cheng, Gengdong

    2012-01-01

    -sectional area. To study the band-gap for travelling waves, a repeated inner segment of the optimized beams is analyzed using Floquet theory and the waveguide finite element (WFE) method. Finally, the frequency response is computed for the optimized beams when these are subjected to an external time......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...

  12. On the band gap variation in SiC polytypes

    Energy Technology Data Exchange (ETDEWEB)

    Haeringen, W. van; Bobbert, P.A.; Backes, W.H. [Technische Univ. Eindhoven (Netherlands). Dept. of Physics

    1997-07-01

    Electronic band gaps of SiC polytypes are reproduced within an interface matching technique of electronic wave functions. Essential features resulting from this treatment are introduced in a one-dimensional model, leading to a transparent description of the electronic band gap variation among polytypes. It is discussed in what sense the polytypes of SiC are exceptional in showing a relatively strong band gap variation, contrary to e.g. polytypes of ZnS and hypothetical polytypes made up from Si, C or AlAs. (orig.) 36 refs.

  13. On the Band Gap Variation in SiC Polytypes

    Science.gov (United States)

    van Haeringen, W.; Bobbert, P. A.; Backes, W. H.

    1997-07-01

    Electronic band gaps of SiC polytypes are reproduced within an interface matching technique of electronic wave functions. Essential features resulting from this treatment are introduced in a one-dimensional model, leading to a transparent description of the electronic band gap variation among polytypes. It is discussed in what sense the polytypes of SiC are exceptional in showing a relatively strong band gap variation, contrary to e.g. polytypes of ZnS and hypothetical polytypes made up from Si, C or AlAs.

  14. Size effects in band gap bowing in nitride semiconducting alloys

    DEFF Research Database (Denmark)

    Gorczyca, I.; Suski, T.; Christensen, Niels Egede

    2011-01-01

    Chemical and size contributions to the band gap bowing of nitride semiconducting alloys (InxGa1-xN, InxAl1-xN, and AlxGa1-xN) are analyzed. It is shown that the band gap deformation potentials of the binary constituents determine the gap bowing in the ternary alloys. The particularly large gap bo...... bowing in In-containing nitride alloys can be explained by specific properties of InN, which do not follow trends observed in several other binaries....

  15. 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.

  16. Experimental studies of surface plasmon polariton band gap effect

    DEFF Research Database (Denmark)

    Volkov, V. S.; Bozhevolnyi, S. I.; Leosson, K.

    2003-01-01

    Surface plasmon polaritons (SPPs) propagation at a gold film surface covered by periodic arrays of ~40-nm-high scatterers arranged in a triangular lattice of different periods containing straight line defects is studied using collection scanning near-field optical microscopy. The results reveal...... the dependence of the SPP band gap (SPPBG) effect manifested via the SPP reflection and guiding (along line defects) on the parameters of the surface structures (period, filling factor and lattice orientation). We find that the SPPBG effect is stronger along &ggr;K direction for all investigated periodic...

  17. Crystal and electronic structures and high-pressure behavior of AgSO4, a unique narrow band gap antiferromagnetic semiconductor: LDA(+U) picture.

    Science.gov (United States)

    Derzsi, Mariana; Stasiewicz, Juliusz; Grochala, Wojciech

    2011-09-01

    We demonstrate that DFT calculations performed with the local density approximation (LDA) allow for significantly better reproduction of lattice constants, the unit cell volume and the density of Ag(II)SO(4) than those done with generalized gradient approximation (GGA). The LDA+U scheme, which accounts for electronic correlation effects, enables the accurate prediction of the magnetic superexchange constant of this strongly correlated material and its band gap at the Fermi level. The character of the band gap places the compound on the borderline between a Mott insulator and a charge transfer insulator. The size of the band gap (0.82 eV) indicates that AgSO(4) is a ferrimagnetic semiconductor, and possibly an attractive material for spintronics. A bulk modulus of 27.0 GPa and a compressibility of 0.037 GPa(-1) were determined for AgSO(4) from the third-order Birch-Murnaghan isothermal equation of state up to 20 GPa. Several polymorphic types compete with the ambient pressure P-1 phase as the external pressure is increased. The P-1 phase is predicted to resist pressure-induced metallization up to at least 20 GPa.

  18. Optimum design of band-gap beam structures

    DEFF Research Database (Denmark)

    Olhoff, Niels; Niu, Bin; Cheng, Gengdong

    2012-01-01

    -sectional area. To study the band-gap for travelling waves, a repeated inner segment of the optimized beams is analyzed using Floquet theory and the waveguide finite element (WFE) method. Finally, the frequency response is computed for the optimized beams when these are subjected to an external time......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...

  19. Photonic band gap engineering in 2D photonic crystals

    Indian Academy of Sciences (India)

    Yogita Kalra; R K Sinha

    2006-12-01

    The polarization-dependent photonic band gaps (TM and TE polarizations) in two-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 affected by the changing ellipticity of the constituent air holes/dielectric rods. It is observed that the size of the photonic band gap changes with changing ellipticity of the constituent air holes/dielectric rods. Further, it is reported, how the photonic band gap size is affected by the change in the orientation of the constituent elliptical air holes/dielectric rods in 2D photonic crystals.

  20. Luminescence from wide band gap materials and their applications

    Science.gov (United States)

    Shinde, S. L.; Senapati, S.; Nanda, K. K.

    2015-03-01

    We demonstrate ZnO and In2O3 microcrystals as an optical probe for wide range thermometry. Both ZnO and In2O3 microcrystals exhibit a monotonic decrease in luminescence intensities with increase in temperature. The variation has been explored to develop a thermometer in a wide temperature range. We also demonstrate enhanced brightness from broad-luminescent-wide band gap materials when sensitized with low band gap CdTe quantum dots. Wide band gap materials act as acceptors, while CdTe act as donors. One of the major implications is the designing of weak-luminescent-wide-band gap materials as bright white light emitting phosphors that can convert the ultraviolet into visible light. Invited talk at the 7th International Workshop on Advanced Materials Science and Nanotechnology IWAMSN2014, 2-6 November, 2014, Ha Long, Vietnam.

  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. 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 .

  3. Amorphous Photonic Lattices: Band Gaps, Effective Mass and Suppressed Transport

    OpenAIRE

    Rechtsman, Mikael; Szameit, Alexander; Dreisow, Felix; Heinrich, Matthias; Keil, Robert; Nolte, Stefan; Segev, Mordechai

    2010-01-01

    We present, theoretically and experimentally, amorphous photonic lattices exhibiting a band-gap yet completely lacking Bragg diffraction: 2D waveguides distributed randomly according to a liquid-like model responsible for the absence of Bragg peaks as opposed to ordered lattices containing disorder, which always exhibit Bragg peaks. In amorphous lattices the bands are comprised of localized states, but we find that defect states residing in the gap are more localized than the Anderson localiz...

  4. 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....

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

    Institute of Scientific and Technical Information of China (English)

    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.

  6. Band gap bowing in quaternary nitride semiconducting alloys

    DEFF Research Database (Denmark)

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

    2011-01-01

    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...

  7. Energy bands and gaps near an impurity

    Science.gov (United States)

    Mihóková, E.; Schulman, L. S.

    2016-10-01

    It has been suggested that in the neighborhood of a certain kind of defect in a crystal there is a bend in the electronic band. We confirm that this is indeed possible using the Kronig-Penney model. Our calculations also have implications for photonic crystals.

  8. Conduction bands and invariant energy gaps in alkali bromides

    NARCIS (Netherlands)

    Boer, P.K. de; Groot, R.A. de

    1998-01-01

    Electronic structure calculations of the alkali bromides LiBr, NaBr, KBr, RbBr and CsBr are reported. It is shown that the conduction band has primarily bromine character. The size of the band gaps of bromides and alkali halides in general is reinterpreted.

  9. Diluted II-VI oxide semiconductors with multiple band gaps.

    Science.gov (United States)

    Yu, K M; Walukiewicz, W; Wu, J; Shan, W; Beeman, J W; Scarpulla, M A; Dubon, O D; Becla, P

    2003-12-12

    We report the realization of a new mult-band-gap semiconductor. Zn(1-y)Mn(y)OxTe1-x alloys have been synthesized using the combination of oxygen ion implantation and pulsed laser melting. Incorporation of small quantities of isovalent oxygen leads to the formation of a narrow, oxygen-derived band of extended states located within the band gap of the Zn(1-y)Mn(y)Te host. When only 1.3% of Te atoms are replaced with oxygen in a Zn0.88Mn0.12Te crystal the resulting band structure consists of two direct band gaps with interband transitions at approximately 1.77 and 2.7 eV. This remarkable modification of the band structure is well described by the band anticrossing model. With multiple band gaps that fall within the solar energy spectrum, Zn(1-y)Mn(y)OxTe1-x is a material perfectly satisfying the conditions for single-junction photovoltaics with the potential for power conversion efficiencies surpassing 50%.

  10. Photonic band gap of 2D complex lattice photonic crystal

    Institute of Scientific and Technical Information of China (English)

    GUAN Chun-ying; YUAN Li-bo

    2009-01-01

    It is of great significance to present a photonic crystal lattice structure with a wide photonic bandgap. A two-dimension complex lattice photonic crystal is proposed. The photonic crystal is composed of complex lattices with triangular structure, and each single cell is surrounded by six scatterers in an hexagon. The photonic band gaps are calculated based on the plane wave expansion (PWE) method. The results indicate that the photonic crystal has tunable large TM polarization band gap, and a gap-midgap ratio of up to 45.6%.

  11. Multiband Terahertz Photonic Band Gaps of Subwavelength Planar Fractals

    Institute of Scientific and Technical Information of China (English)

    ZHAO Guo-Zhong; TIAN Yan; SUN Hong-Qi; ZHANG Cun-Lin; YANG Guo-Zhen

    2006-01-01

    Optical transmission properties of subwavelength planar fractals in terahertz (THz) frequency regime are studied by means of time-domain spectroscopy. The transmission spectra with multiple pass bands and stop bands are observed. The tunable photonic band gaps are realized by changing the angle between the principle axis of planar fractal and the polarization of THz wave. The possible application of the subwavelength optical component is discussed. We attribute the detected transmittance from subwavelength fractals to localized resonances.

  12. A novel theoretical model for the temperature dependence of band gap energy in semiconductors

    Science.gov (United States)

    Geng, Peiji; Li, Weiguo; Zhang, Xianhe; Zhang, Xuyao; Deng, Yong; Kou, Haibo

    2017-10-01

    We report a novel theoretical model without any fitting parameters for the temperature dependence of band gap energy in semiconductors. This model relates the band gap energy at the elevated temperature to that at the arbitrary reference temperature. As examples, the band gap energies of Si, Ge, AlN, GaN, InP, InAs, ZnO, ZnS, ZnSe and GaAs at temperatures below 400 K are calculated and are in good agreement with the experimental results. Meanwhile, the band gap energies at high temperatures (T  >  400 K) are predicted, which are greater than the experimental results, and the reasonable analysis is carried out as well. Under low temperatures, the effect of lattice expansion on the band gap energy is very small, but it has much influence on the band gap energy at high temperatures. Therefore, it is necessary to consider the effect of lattice expansion at high temperatures, and the method considering the effect of lattice expansion has also been given. The model has distinct advantages compared with the widely quoted Varshni’s semi-empirical equation from the aspect of modeling, physical meaning and application. The study provides a convenient method to determine the band gap energy under different temperatures.

  13. Band Gap Tuning of Armchair Graphene Nanoribbons by Using Antidotes

    Science.gov (United States)

    Zoghi, Milad; Goharrizi, Arash Yazdanpanah; Saremi, Mehdi

    2017-01-01

    The electronic properties of armchair graphene nanoribbons (AGNRs) can be changed by creating antidotes within the pristine ribbons and producing antidote super lattice AGNRs (ASL-AGNRs). In the present work, band gap tuning of ASL-AGNRs is investigated by varying the width of ribbons ( d W) and the distance between antidotes ( d L) for five different antidote topologies. Numerical tight-binding model is applied to obtain the band structure of the ribbons. Based on our results, it is found that the band gap of ASL-AGNRs can be increased or decreased in different cases. Furthermore, changing the width of ribbons generally results in more predictable␣band gap profiles compared to the variation of distance between antidotes. Consequently, by opting appropriate antidote topologies and dimensional parameters ( d W and d L), it is possible to gain a desired band gap size. This can be considered as an alternative solution in design of electronic and optoelectronic devices where tunable band gap values are needed.

  14. Band Gap Engineering of Two-Dimensional Nitrogene

    Science.gov (United States)

    Li, Jie-Sen; Wang, Wei-Liang; Yao, Dao-Xin

    2016-01-01

    In our previous study, we have predicted the novel two-dimensional honeycomb monolayers of pnictogen. In particular, the structure and properties of the honeycomb monolayer of nitrogen, which we call nitrogene, are very unusual. In this paper, we make an in-depth investigation of its electronic structure. We find that the band structure of nitrogene can be engineered in several ways: controlling the stacking of monolayers, application of biaxial tensile strain, and application of perpendicular electric field. The band gap of nitrogene is found to decrease with the increasing number of layers. The perpendicular electric field can also reduce the band gap when it is larger than 0.18 V/Å, and the gap closes at 0.35 V/Å. A nearly linear dependence of the gap on the electric field is found during the process. Application of biaxial strain can decrease the band gap as well, and eventually closes the gap. After the gap-closing, we find six inequivalent Dirac points in the Brillouin zone under the strain between 17% and 28%, and the nitrogene monolayer becomes a Dirac semimetal. These findings suggest that the electronic structure of nitrogene can be modified by several techniques, which makes it a promising candidate for electronic devices. PMID:27680297

  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. Quantum electrodynamics near a photonic band-gap

    Science.gov (United States)

    Liu, Yanbing; Houck, Andrew

    Quantum electrodynamics predicts the localization of light around an atom in photonic band-gap (PBG) medium or photonic crystal. Here we report the first experimental realization of the strong coupling between a single artificial atom and an one dimensional PBG medium using superconducting circuits. In the photonic transport measurement, we observe an anomalous Lamb shift and a large band-edge avoided crossing when the artificial atom frequency is tuned across the band-edge. The persistent peak within the band-gap indicates the single photon bound state. Furthermore, we study the resonance fluorescence of this bound state, again demonstrating the breakdown of the Born-Markov approximation near the band-edge. This novel architecture can be directly generalized to study many-body quantum electrodynamics and to construct more complicated spin chain models.

  17. Strong Renormalization of the Electronic Band Gap due to Lattice Polarization in the GW Formalism

    Science.gov (United States)

    Botti, Silvana; Marques, Miguel A. L.

    2013-05-01

    The self-consistent GW band gaps are known to be significantly overestimated. We show that this overestimation is, to a large extent, due to the neglect of the contribution of the lattice polarization to the screening of the electron-electron interaction. To solve this problem, we derive within the GW formalism a generalized plasmon-pole model that accounts for lattice polarization. The resulting GW self-energy is used to calculate the band structures of a set of binary semiconductors and insulators. The lattice contribution always decreases the band gap. The shrinkage increases with the size of the longitudinal-transverse optical splitting and it can represent more than 15% of the band gap in highly polar compounds, reducing the band-gap percentage error by a factor of 3.

  18. 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...

  19. Localization and characterization of the metallic band gaps in a ternary metallo-dielectric photonic crystal

    Science.gov (United States)

    Alejo-Molina, Adalberto; Romero-Antequera, David L.; Sánchez-Mondragón, José J.

    2014-02-01

    In this work, we demonstrate the existence of structural metallic band gaps in a ternary material, dielectric-dielectric-metal, and we show analytical equations for their computation. We show the existence of metallic band gaps not only in the lowest band but also for high frequencies. These gaps are structural ones but different and additional to the dielectric ones in the dielectric photonic crystal substrate. Therefore, as the desire properties of both, the dielectric and metallic photonic crystals, are present the applications for this particular structure are straightforward.

  20. Analysis of two-dimensional photonic band gap structure with a rhombus lattice

    Institute of Scientific and Technical Information of China (English)

    Limei Qi; Ziqiang Yang; Xi Gao; Zheng Liang

    2008-01-01

    @@ The relative band gap for a rhombus lattice photonic crystal is studied by plane wave expansion method and high frequency structure simulator (HFSS) simulation. General wave vectors in the first Briliouin zone are derived. The relative band gap as a function of air-filling factor and background material is investigated, respectively, and the nature of photonic band gap for different lattice angles is analyzed by the distribution of electric energy. These results would provide theoretical instruction for designing optical integrated devices using photonic crystal with a rhombus lattice.

  1. Synthesis and Characterization of Small Band-gap Conjugated Polymers - Poly(pyrrolyl methines)

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A kind of small band-gap conjugated polymers-poly (pyrrolyl methines) and their precursors-(poly pyrrolyl methanes) have been synthesized by a simple method and characterized by 1HNMR, FT-IR, TGA and UV-Vis. These polymers can be dissolved in high polar solvents such as DMSO, DMF or NMP. The results reveals that the band-gap of the synthesized conjugated polymers are in the range of 0.96~1.14 eV and they all belong to the small band-gap polymers. The conductivity of doped products with iodine is in the range of semiconductor.

  2. High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH 3 -(CH 2 )4 -NH3 ]CuCl4

    Energy Technology Data Exchange (ETDEWEB)

    Li, Qian; Li, Shourui; Wang, Kai; Quan, Zewei; Meng, Yue; Zou, Bo

    2017-01-10

    Searching for nontoxic and stable perovskite-like alternatives to lead-based halide perovskites for photovoltaic application is one urgent issue in photoelectricity science. Such exploration inevitably requires an effective method to accurately control both the crystalline and electronic structures. This work applies high pressure to narrow the band gap of perovskite-like organometal halide, [NH3-(CH2)4-NH3]CuCl4 (DABCuCl4), through the crystalline-structure tuning. The band gap keeps decreasing below ~12 GPa, involving the shrinkage and distortion of CuCl42–. Inorganic distortion determines both band-gap narrowing and phase transition between 6.4 and 10.5 GPa, and organic chains function as the spring cushion, evidenced by the structural transition at ~0.8 GPa. The supporting function of organic chains protects DABCuCl4 from phase transition and amorphization, which also contributes to the sustaining band-gap narrowing. This work combines crystal structure and macroscopic property together and offers new strategies for the further design and synthesis of hybrid perovskite-like alternatives.

  3. Kohn-Sham potential with discontinuity for band gap materials

    Science.gov (United States)

    Kuisma, M.; Ojanen, J.; Enkovaara, J.; Rantala, T. T.

    2010-09-01

    We model a Kohn-Sham potential with the discontinuity at integer particle numbers starting from the approximation by (GLLB) Gritsenko [Phys. Rev. A 51, 1944 (1995)10.1103/PhysRevA.51.1944]. We evaluate the Kohn-Sham gap and the discontinuity to obtain the quasiparticle gap. This allows us to compare the Kohn-Sham gaps to those obtained by accurate many-body perturbation-theory-based optimized potential methods. In addition, the resulting quasiparticle band gap is compared to experimental gaps. In the GLLB model potential, the exchange-correlation hole is modeled using a generalized gradient approximation (GGA) energy density and the response of the hole-to-density variations is evaluated by using the common-denominator approximation and homogeneous electron-gas-based assumptions. In our modification, we have chosen the PBEsol potential as the GGA to model the exchange hole and add a consistent correlation potential. The method is implemented in the GPAW code, which allows efficient parallelization to study large systems. A fair agreement for Kohn-Sham and the quasiparticle band gaps with semiconductors and other band gap materials is obtained with a potential which is as fast as GGA to calculate.

  4. 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.

  5. Band gap modulation in polythiophene and polypyrrole-based systems

    Science.gov (United States)

    Kaloni, Thaneshwor P.; Schreckenbach, Georg; Freund, Michael S.

    2016-11-01

    In this paper, the structural and electronic properties of polythiophene and polyprrrole-based systems have been investigated using first-principles calculations both in periodic and oligomer forms. Of particular interest is the band gap modulation through substitutions and bilayer formation. Specifically, S has been substituted by Se and Te in polythiophene, leading to polyseleophene and polytellurophene, respectively, and N has been substituted by P and As in polypyrrole. The values obtained of the binding energy suggest that all the systems studied can be realized experimentally. Stacking (bilayer formation) of pure polythiophene, polypyrrole and their derivatives leads to linear suppression of the band gap or HOMO-LUMO gap as a function of the stacking. Mixed bilayers, including one formed from polythiophene on top of polypyrrole, have also been considered. Overall, a wide range of band gaps can be achieved through substitutions and stacking. Hybrid (B3LYP) calculations also suggest the same trend in the band gap as PBE calculations. Trends in the binding energy are similar for both periodic and molecular calculations. In addition, Γ-point phonon calculations were performed in order to check the stability of selected systems.

  6. Low band gap polymers for organic solar cells

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Krebs, Frederik C

    2008-01-01

    spectroscopy. The results obtained from UV-vis and ultraviolet photoelectron spectroscopy showed band gaps of 2.1-1.7 eV for polymers based on benzothiadiazole and 0.7 eV for polymers based on benzo-bis-thiadiazole. Furthermore the results showed that the band gap decreases with an increase in the number, n......The synthesis of copolymers based on thiophene, benzothiadiazole and benzo-bis-thiadiazole are described. The polymers were obtained by employing Stille cross coupling polymerization. The polymers were characterized by NMR, size exclusion chromatography, UV-vis and ultraviolet photoelectron...

  7. 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

    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 estima......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...

  8. Amorphous Photonic Lattices: Band Gaps, Effective Mass and Suppressed Transport

    CERN Document Server

    Rechtsman, Mikael; Dreisow, Felix; Heinrich, Matthias; Keil, Robert; Nolte, Stefan; Segev, Mordechai

    2010-01-01

    We present, theoretically and experimentally, amorphous photonic lattices exhibiting a band-gap yet completely lacking Bragg diffraction: 2D waveguides distributed randomly according to a liquid-like model responsible for the absence of Bragg peaks as opposed to ordered lattices containing disorder, which always exhibit Bragg peaks. In amorphous lattices the bands are comprised of localized states, but we find that defect states residing in the gap are more localized than the Anderson localization length. Finally, we show how the concept of effective mass carries over to amorphous lattices.

  9. Absolute band gaps in two-dimensional graphite photonic crystal

    Institute of Scientific and Technical Information of China (English)

    Gaoxin Qiu(仇高新); Fanglei Lin(林芳蕾); Hua Wang(王华); Yongping Li(李永平)

    2003-01-01

    The off-plane propagation of electromagnetic (EM) waves in a two-dimensional (2D) graphite photoniccrystal structure was studied using transfer matrix method. Transmission spectra calculations indicatethat such a 2D structure has a common band gap from 0.202 to 0.2035 c/a for both H and E polarizationsand for all off-plane angles form 0° up to 90°. The presence of such an absolute band gap implies that 2Dgraphite photonic crystal, which is much easier and more feasible to fabricate, can exhibit some propertiesof a three-dimensional (3D) photonic crystal.

  10. Wide band gap carbon allotropes: Inspired by zeolite-nets

    Science.gov (United States)

    Wei, Zhi-Jing; Zhao, Hui-Yan; Wang, Jing; Liu, Ying

    2016-10-01

    Based on the topologies proposed for zeolites, six metastable semiconductor carbon allotropes with band gaps of 2.72-3.89 eV are predicted using ab initio density functional calculations. The hardnesses of these allotropes are about 90%-94% that of diamond, indicating that they may be superhard materials. We also present simulated X-ray diffraction spectra of these new carbon allotropes to provide a basis for possible experimental observations and synthesis. These new carbon structures with a range of band gaps and with hardnesses comparable to diamond could be potential targets for the synthesis of hard and transparent materials.

  11. 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...... efficiencies from 0.4 to 2 %. Then large area roll-to-roll coated modules were processed and these showed efficiencies up to 0.6 %. It is clear that further study is necessary before this type of polymer is competitive with P3HT in large area modules....

  12. Uniaxially stressed germanium with fundamental direct band gap

    OpenAIRE

    Geiger, R.; Zabel, T.; Marin, E; Gassenq, A.; Hartmann, J.-M.; Widiez, J.; Escalante, J.; Guilloy, K.; Pauc, N.; Rouchon, D.; Diaz, G. Osvaldo; Tardif, S; Rieutord, F.; Duchemin, I.; Niquet, Y. -M.

    2015-01-01

    We demonstrate the crossover from indirect- to direct band gap in tensile-strained germanium by temperature-dependent photoluminescence. The samples are strained microbridges that enhance a biaxial strain of 0.16% up to 3.6% uniaxial tensile strain. Cooling the bridges to 20 K increases the uniaxial strain up to a maximum of 5.4%. Temperature-dependent photoluminescence reveals the crossover to a fundamental direct band gap to occur between 4.0% and 4.5%. Our data are in good agreement with n...

  13. Waveguiding in surface plasmon polariton band gap structures

    DEFF Research Database (Denmark)

    Bozhevolnyi, S.I.; Østergaard, John Erland; Leosson, Kristjan

    2001-01-01

    Using near-held optical microscopy, we investigate propagation and scattering of surface plasmon polaritons (SPP's) excited in the wavelength range of 780-820 nm at nanostructured gold-film surfaces with areas of 200-nm-wide scatterers arranged in a 400-nm-period triangular lattice containing line...... defects. We observe the SPP reflection by such an area and SPP guiding along line defects at 782 nm, as well as significant deterioration of these effects is 815 nm, thereby directly demonstrating the SPP band gap effect and showing first examples of SPP channel waveguides in surface band gap structures....

  14. 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...

  15. Electronic Band Structure and Sub-band-gap Absorption of Nitrogen Hyperdoped Silicon.

    Science.gov (United States)

    Zhu, Zhen; Shao, Hezhu; Dong, Xiao; Li, Ning; Ning, Bo-Yuan; Ning, Xi-Jing; Zhao, Li; Zhuang, Jun

    2015-05-27

    We investigated the atomic geometry, electronic band structure, and optical absorption of nitrogen hyperdoped silicon based on first-principles calculations. The results show that all the paired nitrogen defects we studied do not introduce intermediate band, while most of single nitrogen defects can introduce intermediate band in the gap. Considering the stability of the single defects and the rapid resolidification following the laser melting process in our sample preparation method, we conclude that the substitutional nitrogen defect, whose fraction was tiny and could be neglected before, should have considerable fraction in the hyperdoped silicon and results in the visible sub-band-gap absorption as observed in the experiment. Furthermore, our calculations show that the substitutional nitrogen defect has good stability, which could be one of the reasons why the sub-band-gap absorptance remains almost unchanged after annealing.

  16. Effect of interfacial lattice mismatch on bulk carrier concentration and band gap of InN

    Energy Technology Data Exchange (ETDEWEB)

    Kuyyalil, Jithesh [FOTON, UMR 6082, INSA, F-35708 Rennes (France); Tangi, Malleswararao; Shivaprasad, S. M. [Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore-560064 (India)

    2012-10-15

    The issue of ambiguous values of the band gap (0.6 to 2 eV) of InN thin film in literature has been addressed by a careful experiment. We have grown wurtzite InN films by PA-MBE simultaneously on differently modified c-plane sapphire substrates and characterized by complementary structural and chemical probes. Our studies discount Mie resonances caused by metallic In segregation at grain boundaries as the reason for low band gap values ( Almost-Equal-To 0.6 eV) and also the formation of Indium oxides and oxynitrides as the cause for high band gap value ( Almost-Equal-To 2.0 eV). It is observed that polycrystallinity arising from azimuthal miss-orientation of c-oriented wurtzite InN crystals increases the carrier concentration and the band gap values. We have reviewed the band gap, carrier concentration, and effective mass of InN in literature and our own measurements, which show that the Moss-Burstein relation with a non-parabolic conduction band accounts for the observed variation of band gap with carrier concentration.

  17. Manipulating full photonic band gaps in two dimensional birefringent photonic crystals.

    Science.gov (United States)

    Proietti Zaccaria, Remo; Verma, Prabhat; Kawaguchi, Satoshi; Shoji, Satoru; Kawata, Satoshi

    2008-09-15

    The probability to realize a full photonic band gap in two-dimensional birefringent photonic crystals can be readily manipulated by introducing symmetry reduction or air holes in the crystal elements. The results lie in either creation of new band gaps or enlargement of existing band gaps. In particular, a combination of the two processes produces an effect much stronger than a simple summation of their individual contributions. Materials with both relatively low refractive index (rutile) and high refractive index (tellurium) were considered. The combined effect of introduction of symmetry reduction and air holes resulted in a maximum enlargement of the band gaps by 8.4% and 20.2%, respectively, for the two materials.

  18. Isotropic properties of the photonic band gap in quasicrystals with low-index contrast

    CERN Document Server

    Rose, Priya; Abbate, G; Andreone, A

    2011-01-01

    We report on the formation and development of the photonic band gap in two-dimensional 8-, 10- and 12-fold symmetry quasicrystalline lattices of low index contrast. Finite size structures made of dielectric cylindrical rods were studied and measured in the microwave region, and their properties compared with a conventional hexagonal crystal. Band gap characteristics were investigated by changing the direction of propagation of the incident beam inside the crystal. Various angles of incidence from 0 \\degree to 30\\degree were used in order to investigate the isotropic nature of the band gap. The arbitrarily high rotational symmetry of aperiodically ordered structures could be practically exploited to manufacture isotropic band gap materials, which are perfectly suitable for hosting waveguides or cavities.

  19. Band gap narrowing models tested on low recombination phosphorus laser doped silicon

    Science.gov (United States)

    Dahlinger, Morris; Carstens, Kai

    2016-10-01

    This manuscript discusses bandgap narrowing models for highly phosphorus doped silicon. We simulate the recombination current pre-factor J0,phos in PC1Dmod 6.2 of measured doping profiles and apply the theoretical band gap narrowing model of Schenk [J. Appl. Phys. 84, 3684 (1998)] and an empirical band gap narrowing model of Yan and Cuevas [J. Appl. Phys. 114, 044508 (2013)]. The recombination current pre-factor of unpassivated and passivated samples measured by the photo conductance measurement and simulated J0,phos agrees well, when the band gap narrowing model of Yan and Cuevas is applied. With the band gap narrowing model of Schenk, the simulation cannot reproduce the measured J0,phos. Furthermore, the recombination current pre-factor of our phosphorus laser doped silicon samples are comparable with furnace diffused samples. There is no indication of recombination active defects, thus no laser induced defects in the diffused volume.

  20. Revealing the nature of the transport band gap in carbon nanotubes by controlling the dielectric environment

    OpenAIRE

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

    2016-01-01

    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 correlations, even at room temperature. Here, we use dielectric liquids to screen e-e interactions in individual suspended ultra-clean CNTs. Using multiple techniques, the transport gap is measured as die...

  1. 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...

  2. Experimental studies of surface plasmon polariton band gap effect

    DEFF Research Database (Denmark)

    Volkov, V. S.; Bozhevolnyi, S. I.; Leosson, K.;

    2003-01-01

    the dependence of the SPP band gap (SPPBG) effect manifested via the SPP reflection and guiding (along line defects) on the parameters of the surface structures (period, filling factor and lattice orientation). We find that the SPPBG effect is stronger along &ggr;K direction for all investigated periodic...

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

    DEFF Research Database (Denmark)

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

    2005-01-01

    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...

  4. 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 lowe...

  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

    Science.gov (United States)

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

    2011-09-01

    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. Ultrafast Electronic Band Gap Control in an Excitonic Insulator

    Science.gov (United States)

    Mor, Selene; Herzog, Marc; Golež, Denis; Werner, Philipp; Eckstein, Martin; Katayama, Naoyuki; Nohara, Minoru; Takagi, Hide; Mizokawa, Takashi; Monney, Claude; Stähler, Julia

    2017-08-01

    We report on the nonequilibrium dynamics of the electronic structure of the layered semiconductor Ta2NiSe5 investigated by time- and angle-resolved photoelectron spectroscopy. We show that below the critical excitation density of FC=0.2 mJ cm-2 , the band gap narrows transiently, while it is enhanced above FC . Hartree-Fock calculations reveal that this effect can be explained by the presence of the low-temperature excitonic insulator phase of Ta2 NiSe5 , whose order parameter is connected to the gap size. This work demonstrates the ability to manipulate the band gap of Ta2 NiSe5 with light on the femtosecond time scale.

  8. Low Loss Plastic Terahertz Photonic Band-Gap Fibres

    Institute of Scientific and Technical Information of China (English)

    GENG You-Fu; TAN Xiao-Ling; ZHONG Kai; WANG Peng; YAO Jian-Quan

    2008-01-01

    We report a numerical investigation on terahertz wave propagation in plastic photonic band-gap fibres which are characterized by a 19-unit-cell air core and hexagonal air holes with rounded corners in cladding. Using the finite element method, the leakage loss and absorption loss are calculated and the transmission properties are analysed.The lowest loss of 0.268 dB/m is obtained. Numerical results show that the fibres could liberate the constraints of background materials beyond the transparency region in terahertz wave band, and efficiently minimize the effect of absorption by background materials, which present great advantage of plastic photonic band-gap fibres in long distance terahertz delivery.

  9. Optical band gap tuning of Sb-Se thin films for xerographic based applications

    Science.gov (United States)

    Kaur, Ramandeep; Singh, Palwinder; Singh, Kulwinder; Kumar, Akshay; Thakur, Anup

    2016-10-01

    In the present paper we have studied the effect of Sb addition on the optical band gap tuning of thermally evaporated SbxSe100-x (x = 0, 5, 20, 50 and 60) thin films. The structural investigations revealed that all thin films were amorphous in nature. Transmission spectrum was taken in the range 400-2500 nm shows that all films are highly transparent in the near infrared region. The fundamental absorption edge shifts towards longer wavelength with Sb incorporation. The optical band gap decreases with addition of antimony in a-Se thin films. A good correlation has been drawn between experimentally estimated and theoretically calculated optical band gap. The decrease in optical band gap of thin films has been explained using chemical bond approach and density of states model. Decrease in optical band gap with Sb addition increases the concentration of electron deep traps which increases the X-ray sensitivity of Sb-Se thin films. Thus by tuning the optical band gap of Sb-Se alloy, it could be utilized for xerographic based applications.

  10. Slow light and band gaps in metallodielectric cylinder arrays.

    Science.gov (United States)

    Shainline, Jeffrey M; Xu, Jimmy

    2009-05-25

    We consider two-dimensional three-component photonic crystals wherein one component is modeled as a drude-dispersive metal. It is found that the dispersion relation of light in this environment depends critically on the configuration of the metallic and dielectric components. In particular, for the case of an incident electromagnetic wave with electric field vector parallel to the axis of the cylinders it is shown that the presence of dielectric shells covering the metallic cylinders leads to a closing of the structural band gap with increased filling factor, as would be expected for a purely dielectric photonic crystal. For the same polarization, the photonic band structure of an array of metallic shell cylinders with dielectric cores do not show the closing of the structural band gap with increased filling factor of the metallic component. In this geometry, the photonic band structure contains bands with very small values of group velocity with some bands having a maximum of group velocity as small as .05c.

  11. 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

  12. Substrate-induced band gap opening in epitaxial graphene

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, S.Y.; Gweon, G.-H.; Fedorov, A.V.; First, P.N.; de Heer,W.A.; Lee, D.-H.; Guinea, F.; Castro Neto, A.H.; Lanzara, A.

    2007-09-08

    Graphene has shown great application potential as the hostmaterial for next-generation electronic devices. However, despite itsintriguing properties, one of the biggest hurdles for graphene to beuseful as an electronic material is the lack of an energy gap in itselectronic spectra. This, for example, prevents the use of graphene inmaking transistors. Although several proposals have been made to open agap in graphene's electronic spectra, they all require complexengineering of the graphene layer. Here, we show that when graphene isepitaxially grown on SiC substrate, a gap of ~;0.26 eV is produced. Thisgap decreases as the sample thickness increases and eventually approacheszero when the number of layers exceeds four. We propose that the originof this gap is the breaking of sublattice symmetry owing to thegraphene-substrate interaction. We believe that our results highlight apromising direction for band gap engineering of graphene.

  13. 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.

  14. 4-Alkyl-3,5-difluorophenyl-Substituted Benzodithiophene-Based Wide Band Gap Polymers for High-Efficiency Polymer Solar Cells.

    Science.gov (United States)

    Li, Guangwu; Gong, Xue; Zhang, Jicheng; Liu, Yahui; Feng, Shiyu; Li, Cuihong; Bo, Zhishan

    2016-02-17

    Two novel polymers PTFBDT-BZS and PTFBDT-BZO with 4-alkyl-3,5-difluorophenyl substituted benzodithiophene as the donor unit, benzothiadiazole or benzooxadiazole as the acceptor unit, and thiophene as the spacer have been synthesized and used as donor materials for polymer solar cells (PSCs). These two polymers exhibited wide optical band gaps of about 1.8 eV. PSCs with the blend of PTFBDT-BZS:PC71BM (1:2, by weight) as the active layer fabricated without using any processing additive and any postannealing treatment showed power conversion efficiency (PCE) of 8.24% with an open circuit voltage (Voc) of 0.89 V, a short circuit current (Jsc) of 12.67 mA/cm(2), and a fill factor (FF) of 0.73 under AM 1.5G illumination, indicating that PTFBDT-BZS is a very promising donor polymer for PSCs. The blend of PTFBDT-BZO:PC71BM showed a lower PCE of 5.67% with a Voc of 0.96 V, a Jsc of 9.24 mA/cm(2), and an FF of 0.64. One reason for the lower PCE is probably due to that PTFBDT-BZO has a smaller LUMO offset with PC71BM, which cannot provide enough driving force for charge separation. And another reason is probably due to that PTFBDT-BZO has a lower hole mobility in comparison with PTFBDT-BZS.

  15. Photonic-Band-Gap Traveling-Wave Gyrotron Amplifier

    Science.gov (United States)

    Nanni, E. A.; Lewis, S. M.; Shapiro, M. A.; Griffin, R. G.; Temkin, R. J.

    2014-01-01

    We report the experimental demonstration of a gyrotron traveling-wave-tube amplifier at 250 GHz that uses a photonic band gap (PBG) interaction circuit. The gyrotron amplifier achieved a peak small signal gain of 38 dB and 45 W output power at 247.7 GHz with an instantaneous −3 dB bandwidth of 0.4 GHz. The amplifier can be tuned for operation from 245–256 GHz. The widest instantaneous −3 dB bandwidth of 4.5 GHz centered at 253.25 GHz was observed with a gain of 24 dB. The PBG circuit provides stability from oscillations by supporting the propagation of transverse electric (TE) modes in a narrow range of frequencies, allowing for the confinement of the operating TE03-like mode while rejecting the excitation of oscillations at nearby frequencies. This experiment achieved the highest frequency of operation for a gyrotron amplifier; at present, there are no other amplifiers in this frequency range that are capable of producing either high gain or high output power. This result represents the highest gain observed above 94 GHz and the highest output power achieved above 140 GHz by any conventional-voltage vacuum electron device based amplifier. PMID:24476286

  16. On acoustic band gaps in homogenized piezoelectric phononic materials

    Directory of Open Access Journals (Sweden)

    Rohan E.

    2010-07-01

    Full Text Available We consider a composite medium made of weakly piezoelectric inclusions periodically distributed in the matrix which ismade of a different piezoelectricmaterial. Themediumis subject to a periodic excitation with an incidence wave frequency independent of scale ε of the microscopic heterogeneities. Two-scale method of homogenization is applied to obtain the limit homogenized model which describes acoustic wave propagation in the piezoelectric medium when ε → 0. In analogy with the purely elastic composite, the resulting model allows existence of the acoustic band gaps. These are identified for certain frequency ranges whenever the so-called homogenized mass becomes negative. The homogenized model can be used for band gap prediction and for dispersion analysis for low wave numbers. Modeling such composite materials seems to be perspective in the context of Smart Materials design.

  17. Band gap determination of Ni–Zn ferrites

    Indian Academy of Sciences (India)

    G P Joshi; N S Saxena; R Mangal; A Mishra; T P Sharma

    2003-06-01

    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 spectrophotometer at room temperature. From the analysis of reflection spectra, nanocomposites of copolymer of aniline and formaldehyde with Ni$_{1–x}$Zn$_x$Fe2O4 ( = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) have been found to have direct band gaps ranging from 1.50–1.66 eV.

  18. 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.

  19. Microscopic theory of photonic band gaps in optical lattices

    CERN Document Server

    Samoylova, M; Bachelard, R; Courteille, Ph W

    2013-01-01

    We propose a microscopic model to describe the scattering of light by atoms in optical lattices. The model is shown to efficiently capture Bragg scattering, spontaneous emission and photonic band gaps. A connection to the transfer matrix formalism is established in the limit of a one-dimensional optical lattice, and we find the two theories to yield results in good agreement. The advantage of the microscopic model is, however, that it suits better for studies of finite-size and disorder effects.

  20. One-dimensional photonic band gaps in optical lattices

    CERN Document Server

    Samoylova, Marina; Holynski, Michael; Courteille, Philippe Wilhelm; Bachelard, Romain

    2013-01-01

    The phenomenon of photonic band gaps in one-dimensional optical lattices is reviewed using a microscopic approach. Formally equivalent to the transfer matrix approach in the thermodynamic limit, a microscopic model is required to study finite-size effects, such as deviations from the Bragg condition. Microscopic models describing both scalar and vectorial light are proposed, as well as for two- and three-level atoms. Several analytical results are compared to experimental data, showing a good agreement.

  1. Oxygen vacancy induced band gap narrowing of ZnO nanostructures by an electrochemically active biofilm.

    Science.gov (United States)

    Ansari, Sajid Ali; Khan, Mohammad Mansoob; Kalathil, Shafeer; Nisar, Ambreen; Lee, Jintae; Cho, Moo Hwan

    2013-10-07

    Band gap narrowing is important and advantageous for potential visible light photocatalytic applications involving metal oxide nanostructures. This paper reports a simple biogenic approach for the promotion of oxygen vacancies in pure zinc oxide (p-ZnO) nanostructures using an electrochemically active biofilm (EAB), which is different from traditional techniques for narrowing the band gap of nanomaterials. The novel protocol improved the visible photocatalytic activity of modified ZnO (m-ZnO) nanostructures through the promotion of oxygen vacancies, which resulted in band gap narrowing of the ZnO nanostructure (Eg = 3.05 eV) without dopants. X-ray diffraction, UV-visible diffuse reflectance spectroscopy, X-ray photoelectron spectroscopy, electron paramagnetic resonance spectroscopy, Raman spectroscopy, photoluminescence spectroscopy and high resolution transmission electron microscopy confirmed the oxygen vacancy and band gap narrowing of m-ZnO. m-ZnO enhanced the visible light catalytic activity for the degradation of different classes of dyes and 4-nitrophenol compared to p-ZnO, which confirmed the band gap narrowing because of oxygen defects. This study shed light on the modification of metal oxide nanostructures by EAB with a controlled band structure.

  2. Perovskite-perovskite tandem photovoltaics with optimized band gaps

    Science.gov (United States)

    Eperon, Giles E.; Leijtens, Tomas; Bush, Kevin A.; Prasanna, Rohit; Green, Thomas; Wang, Jacob Tse-Wei; McMeekin, David P.; Volonakis, George; Milot, Rebecca L.; May, Richard; Palmstrom, Axel; Slotcavage, Daniel J.; Belisle, Rebecca A.; Patel, Jay B.; Parrott, Elizabeth S.; Sutton, Rebecca J.; Ma, Wen; Moghadam, Farhad; Conings, Bert; Babayigit, Aslihan; Boyen, Hans-Gerd; Bent, Stacey; Giustino, Feliciano; Herz, Laura M.; Johnston, Michael B.; McGehee, Michael D.; Snaith, Henry J.

    2016-11-01

    We demonstrate four- and two-terminal perovskite-perovskite tandem solar cells with ideally matched band gaps. We develop an infrared-absorbing 1.2-electron volt band-gap perovskite, FA0.75Cs0.25Sn0.5Pb0.5I3, that can deliver 14.8% efficiency. By combining this material with a wider-band gap FA0.83Cs0.17Pb(I0.5Br0.5)3 material, we achieve monolithic two-terminal tandem efficiencies of 17.0% with >1.65-volt open-circuit voltage. We also make mechanically stacked four-terminal tandem cells and obtain 20.3% efficiency. Notably, we find that our infrared-absorbing perovskite cells exhibit excellent thermal and atmospheric stability, not previously achieved for Sn-based perovskites. This device architecture and materials set will enable “all-perovskite” thin-film solar cells to reach the highest efficiencies in the long term at the lowest costs.

  3. Soft phononic crystals with deformation-independent band gaps

    Science.gov (United States)

    2017-01-01

    Soft phononic crystals have the advantages over their stiff counterparts of being flexible and reconfigurable. Normally, the band gaps of soft phononic crystals will be modified after deformation due to both geometric and constitutive nonlinearity. Indeed these are important properties that can be exploited to tune the dynamic properties of the material. However, in some instances, it may be that one wishes to deform the medium while retaining the band gap structure. A special class of soft phononic crystals is described here with band gaps that are independent or almost-independent of the imposed mechanical deformation, which enables the design of phononic crystals with robust performance. This remarkable behaviour originates from transformation elasticity theory, which leaves the wave equation and the eigenfrequencies invariant after deformation. The necessary condition to achieve such a property is that the Lagrangian elasticity tensor of the hyperelastic material should be constant, i.e. independent of deformation. It is demonstrated that incompressible neo-Hookean materials exhibit such a unique property. Semilinear materials also possess this property under special loading conditions. Phononic crystals composed of these two materials are studied theoretically and the predictions of invariance, or the manner in which the response deviates from invariance, are confirmed via numerical simulation. PMID:28484331

  4. Band gap transmission in periodic bistable mechanical systems

    Science.gov (United States)

    Frazier, Michael J.; Kochmann, Dennis M.

    2017-02-01

    We theoretically and numerically investigate the supratransmission phenomenon in discrete, nonlinear systems containing bistable elements. While linear waves cannot propagate within the band gaps of periodic structures, supratransmission allows large-amplitude waves to transmit energy through the band gap. For systems lacking bistability, the threshold amplitude for such energy transmission at a given frequency in the linear band gap is fixed. We show that the topological transitions due to bistability provide an avenue for switching the threshold amplitude between two well-separated values. Moreover, this versatility is achieved while leaving the linear dispersion properties of the system essentially unchanged. Interestingly, the behavior changes when an elastic chain is coupled to bistable resonators (in an extension of the well-studied linear locally resonant metamaterials). Here, we show that a fraction of the injected energy is confined near the boundary due to the resonators, providing a means of regulating the otherwise unrestrained energy flow due to supratransmission. Together, the results illustrate new means of controlling nonlinear wave propagation and energy transport in systems having multi-stable elements.

  5. 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}.

  6. 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.

  7. Two novel silicon phases with direct band gaps.

    Science.gov (United States)

    Fan, Qingyang; Chai, Changchun; Wei, Qun; Yang, Yintang

    2016-05-14

    Due to its abundance, silicon is the preferred solar-cell material despite the fact that many silicon allotropes have indirect band gaps. Elemental silicon has a large impact on the economy of the modern world and is of fundamental importance in the technological field, particularly in the solar cell industry. Looking for direct band gap silicon is still an important field in material science. Based on density function theory with the ultrasoft pseudopotential scheme in the frame of the local density approximation and the generalized gradient approximation, we have systematically studied the structural stability, absorption spectra, electronic, optical and mechanical properties and minimum thermal conductivity of two novel silicon phases, Cm-32 silicon and P21/m silicon. These are both thermally, dynamically and mechanically stable. The absorption spectra of Cm-32 silicon and P21/m silicon exhibit significant overlap with the solar spectrum and thus, excellent photovoltaic efficiency with great improvements over Fd3[combining macron]m Si. These two novel Si structures with direct band gaps could be applied in single p-n junction thin-film solar cells or tandem photovoltaic devices.

  8. 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.

  9. Band gap engineering via doping: A predictive approach

    Energy Technology Data Exchange (ETDEWEB)

    Andriotis, Antonis N., E-mail: andriot@iesl.forth.gr [Institute of Electronic Structure and Laser, FORTH, P.O. Box 1527, 71110 Heraklio, Crete (Greece); Menon, Madhu, E-mail: super250@uky.edu [Department of Physics and Astronomy and Center for Computational Sciences, University of Kentucky, Lexington, Kentucky 40506 (United States)

    2015-03-28

    We employ an extension of Harrison's theory at the tight binding level of approximation to develop a predictive approach for band gap engineering involving isovalent doping of wide band gap semiconductors. Our results indicate that reasonably accurate predictions can be achieved at qualitative as well as quantitative levels. The predictive results were checked against ab initio ones obtained at the level of DFT/SGGA + U approximation. The minor disagreements between predicted and ab initio results can be attributed to the electronic processes not incorporated in Harrison's theory. These include processes such as the conduction band anticrossing [Shan et al., Phys. Rev. Lett. 82, 1221 (1999); Walukiewicz et al., Phys. Rev. Lett. 85, 1552 (2000)] and valence band anticrossing [Alberi et al., Phys. Rev. B 77, 073202 (2008); Appl. Phys. Lett. 92, 162105 (2008); Appl. Phys. Lett. 91, 051909 (2007); Phys. Rev. B 75, 045203 (2007)], as well as the multiorbital rehybridization. Another cause of disagreement between the results of our predictive approach and the ab initio ones is shown to be the result of the shift of Fermi energy within the impurity band formed at the edge of the valence band maximum due to rehybridization. The validity of our approach is demonstrated with example applications for the systems GaN{sub 1−x}Sb{sub x}, GaP{sub 1−x}Sb{sub x}, AlSb{sub 1−x}P{sub x}, AlP{sub 1−x}Sb{sub x}, and InP{sub 1−x}Sb{sub x}.

  10. Study on high frequency photonic band gaps of one-dimension photonic crystal for Fibonacci sequence%一维Fibonacci序列光子晶体高频带隙研究

    Institute of Scientific and Technical Information of China (English)

    李晓莉; 李岩; 陈国祥

    2013-01-01

    利用时域有限差分法和传输矩阵法研究了Fibonacci序列一维准周期光子晶体的能带.结果表明:此种结构的光子晶体在高频范围存在带隙;进一步发现当构成薄膜系的两种材料厚度相等,且膜系的非周期性较强即膜系的级数较高时,光子晶体较容易出现高频带隙.%The photonic bands of one-dimension quasi-period photonic crystal with Fibonacci sequence are studied by the finite-difference time-domain method and the transmit matrix method. Our results show that there are photonic band gaps in high frequency for this kind of photonic crystal. Moreover when the thickness of the two materials which constitute the films are equal and the films have strong non-periodicity, the photonic crystal with Fibonacci sequence will gain high frequency photonic band gaps.

  11. Spectrophotometric method for optical band gap and electronic transitions determination of semiconductor materials

    Science.gov (United States)

    Sangiorgi, Nicola; Aversa, Lucrezia; Tatti, Roberta; Verucchi, Roberto; Sanson, Alessandra

    2017-02-01

    The optical band gap energy and the electronic processes involved are important parameters of a semiconductor material and it is therefore important to determine their correct values. Among the possible methods, the spectrophotometric is one of the most common. Several methods can be applied to determine the optical band gap energy and still now a defined consensus on the most suitable one has not been established. A highly diffused and accurate optical method is based on Tauc relationship, however to apply this equation is necessary to know the nature of the electronic transitions involved commonly related to the coefficient n. For this purpose, a spectrophotometric technique was used and we developed a graphical method for electronic transitions and band gap energy determination for samples in powder form. In particular, the n coefficient of Tauc equation was determined thorough mathematical elaboration of experimental results on TiO2 (anatase), ZnO, and SnO2. The results were used to calculate the band gap energy values and then compared with the information obtained by Ultraviolet Photoelectron Spectroscopy (UPS). This approach provides a quick and accurate method for band gap determination through n coefficient calculation. Moreover, this simple but reliable method can be used to evaluate the nature of electronic transition that occurs in a semiconductor material in powder form.

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

    Energy Technology Data Exchange (ETDEWEB)

    Tachikawa, Hiroto, E-mail: hiroto@eng.hokudai.ac.jp; Iyama, Tetsuji; Kawabata, Hiroshi

    2014-03-03

    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.

  13. Group IV direct band gap photonics: Methods, Challenges and Opportunities

    Directory of Open Access Journals (Sweden)

    Richard eGeiger

    2015-07-01

    Full Text Available The concept of direct band gap group IV materials offers a paradigm change for Si-photonics concerning the monolithic implementation of light emitters: The idea is to integrate fully compatible group IV materials with equally favorable optical properties as the chemically incompatible group III-V-based systems. The concept involves either mechanically applied strain on Ge or alloying of Ge with Sn and permits to drastically improve the insufficient radiative efficiency of Ge. The favorable optical properties result from a modified band structure transformed from an indirect to a direct one. The first demonstration of such a direct band gap laser, accomplished in GeSn, exemplifies the capability of this new concept. These systems may permit a qualitative as well as a quantitative expansion of Si-photonics into traditional but also new areas of applications, provided they can be operated energy efficiently, under ambient conditions and integrated with current Si technologies. This review aims to discuss the challenges along this path in terms of fabrication, characterization and fundamental understanding, and will elaborate on evoking opportunities of this new class of group IV-based laser materials.

  14. Group IV direct band gap photonics: Methods, Challenges and Opportunities

    Science.gov (United States)

    Geiger, Richard; Zabel, Thomas; Sigg, Hans

    2015-07-01

    The concept of direct band gap group IV materials offers a paradigm change for Si-photonics concerning the monolithic implementation of light emitters: The idea is to integrate fully compatible group IV materials with equally favorable optical properties as the chemically incompatible group III-V-based systems. The concept involves either mechanically applied strain on Ge or alloying of Ge with Sn and permits to drastically improve the insufficient radiative efficiency of Ge. The favorable optical properties result from a modified band structure transformed from an indirect to a direct one. The first demonstration of such a direct band gap laser, accomplished in GeSn, exemplifies the capability of this new concept. These systems may permit a qualitative as well as a quantitative expansion of Si-photonics into traditional but also new areas of applications, provided they can be operated energy efficiently, under ambient conditions and integrated with current Si technologies. This review aims to discuss the challenges along this path in terms of fabrication, characterization and fundamental understanding, and will elaborate on evoking opportunities of this new class of group IV-based laser materials.

  15. Method of construction of composite one-dimensional photonic crystal with extended photonic band gaps.

    Science.gov (United States)

    Tolmachev, V; Perova, T; Moore, R

    2005-10-17

    A method of photonic band gap extension using mixing of periodic structures with two or more consecutively placed photonic crystals with different lattice constants is proposed. For the design of the structures with maximal photonic band gap extension the gap map imposition method is utilised. Optimal structures have been established and the gap map of photonic band gaps has been calculated at normal incidence of light for both small and large optical contrast and at oblique incidence of light for small optical contrast.

  16. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Prabhash, P. G.; Nair, Swapna S., E-mail: swapna.s.nair@gmail.com [Department of Physics, School of Mathematical and Physical Sciences, Central University of Kerala, Kasaragod, Kerala - 671 314 (India)

    2016-05-15

    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.

  18. Complete Band-Gap in Two-Dimensional Quasiperiod Photonic Crystals with Hollow Cylinders

    Institute of Scientific and Technical Information of China (English)

    FENG Zhi-Fang; FENG Shuai; REN Kun; LI Zhi-Yuan; CHENG Bing-Ying; ZHANG Dao-Zhong

    2005-01-01

    @@ The transmission properties of quasiperiodic photonic crystals (QPCs) based on the random square-triangle tilingsystem are investigated by the multiple scattering method. The hollow cylinders are introduced in our calculation. It is found that QPCs with hollow cylinders also possess a complete band gap common to s- and p-polarized waves when the inner radius of hollow cylinders is larger than a certain value. The QPCs possessing the complete band gap can be applied to the fields of light emitting, wave-guides, optical filters, high-Q resonators and antennas.

  19. Signature of a three-dimensional photonic band gap observed on silicon inverse woodpile photonic crystals

    CERN Document Server

    Huisman, Simon R; Woldering, Léon A; Leistikow, Merel D; Mosk, Allard P; Vos, Willem L

    2010-01-01

    We have studied the reflectivity of CMOS-compatible three-dimensional silicon inverse woodpile photonic crystals at near-infrared frequencies. Polarization-resolved reflectivity spectra were obtained from two orthogonal crystal surfaces corresponding to 1.88 pi sr solid angle. The spectra reveal broad peaks with high reflectivity up to 67 % that are independent of the spatial position on the crystals. The spectrally overlapping reflectivity peaks for all directions and polarizations form the signature of a broad photonic band gap with a relative bandwidth up to 16 %. This signature is supported with stopgaps in plane wave bandstructure calculations and with the frequency region of the expected band gap.

  20. CZTS stoichiometry effects on the band gap energy

    Energy Technology Data Exchange (ETDEWEB)

    Malerba, Claudia, E-mail: claudia.malerba-1@ing.unitn.it [University of Trento, Department of Civil, Environmental and Mechanical Engineering, via Mesiano 77, 38123 Trento (Italy); ENEA, Casaccia Research Center, via Anguillarese 301, 00123 Roma (Italy); Biccari, Francesco [ENEA, Casaccia Research Center, via Anguillarese 301, 00123 Roma (Italy); Azanza Ricardo, Cristy Leonor [University of Trento, Department of Civil, Environmental and Mechanical Engineering, via Mesiano 77, 38123 Trento (Italy); Valentini, Matteo [Sapienza – University of Rome, Department of Physics, p.le A. Moro 5, 00185 Roma (Italy); ENEA, Casaccia Research Center, via Anguillarese 301, 00123 Roma (Italy); Chierchia, Rosa [ENEA, Casaccia Research Center, via Anguillarese 301, 00123 Roma (Italy); Müller, Melanie [University of Trento, Department of Civil, Environmental and Mechanical Engineering, via Mesiano 77, 38123 Trento (Italy); Max Planck Institute for Solid State Research, Heisenberg str. 1, 70569 Stuttgart (Germany); Santoni, Antonino [ENEA, Frascati Research Center, via E. Fermi 45, 00044 Frascati (Italy); Esposito, Emilia [ENEA, Portici Research Center, Piazzale E. Fermi, 80055 Portici (Napoli) (Italy); Mangiapane, Pietro [ENEA, Casaccia Research Center, via Anguillarese 301, 00123 Roma (Italy); Scardi, Paolo [University of Trento, Department of Civil, Environmental and Mechanical Engineering, via Mesiano 77, 38123 Trento (Italy); Mittiga, Alberto [ENEA, Casaccia Research Center, via Anguillarese 301, 00123 Roma (Italy)

    2014-01-05

    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{sub 2}ZnSnS{sub 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.

  1. Widely tunable band gaps of graphdiyne: an ab initio study.

    Science.gov (United States)

    Koo, Jahyun; Park, Minwoo; Hwang, Seunghyun; Huang, Bing; Jang, Byungryul; Kwon, Yongkyung; Lee, Hoonkyung

    2014-05-21

    Functionalization of graphdiyne, a two-dimensional atomic layer of sp-sp(2) hybrid carbon networks, was investigated through first-principles calculations. Hydrogen or halogen atoms preferentially adsorb on sp-bonded carbon atoms rather than on sp(2)-bonded carbon atoms, forming sp(2)- or sp(3)-hybridization. The energy band gap of graphdiyne is increased from ~0.5 eV to ~5.2 eV through the hydrogenation or halogenation. Unlike graphene, segregation of adsorbing atoms is energetically unfavourable. Our results show that hydrogenation or halogenation can be utilized for modifying the electronic properties of graphdiyne for applications to nano-electronics and -photonics.

  2. Band gap tuning of nickelates for photovoltaic applications

    Science.gov (United States)

    Chang, Lei; Wang, Le; You, Lu; Zhou, Yang; Fang, Liang; Wang, Shiwei; Wang, Junling

    2016-11-01

    Hybrid perovskites have achieved tremendous success as a light absorber in solar cells during the past few years. However, the stability issue casts shadow on their practical applications. Perovskite oxides may offer an alternative. In this study, the metal-insulator transition in perovskite neodymium nickelates (NdNiO3) is systematically tuned by adjusting the oxygen partial pressure during film growth. Room temperature insulating films with different band gaps are obtained. Testing photovoltaic cells have been prepared by combining the nickelates with Nb-doped SrTiO3, and photovoltaic performance has been optimized. Our study offers a new route for designing novel photovoltaic materials.

  3. X-Band Photonic Band-Gap Accelerator Structure Breakdown Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Marsh, Roark A.; /MIT /MIT /NIFS, Gifu /JAERI, Kyoto /LLNL, Livermore; Shapiro, Michael A.; Temkin, Richard J.; /MIT; Dolgashev, Valery A.; Laurent, Lisa L.; Lewandowski, James R.; Yeremian, A.Dian; Tantawi, Sami G.; /SLAC

    2012-06-11

    In order to understand the performance of photonic band-gap (PBG) structures under realistic high gradient, high power, high repetition rate operation, a PBG accelerator structure was designed and tested at X band (11.424 GHz). The structure consisted of a single test cell with matching cells before and after the structure. The design followed principles previously established in testing a series of conventional pillbox structures. The PBG structure was tested at an accelerating gradient of 65 MV/m yielding a breakdown rate of two breakdowns per hour at 60 Hz. An accelerating gradient above 110 MV/m was demonstrated at a higher breakdown rate. Significant pulsed heating occurred on the surface of the inner rods of the PBG structure, with a temperature rise of 85 K estimated when operating in 100 ns pulses at a gradient of 100 MV/m and a surface magnetic field of 890 kA/m. A temperature rise of up to 250 K was estimated for some shots. The iris surfaces, the location of peak electric field, surprisingly had no damage, but the inner rods, the location of the peak magnetic fields and a large temperature rise, had significant damage. Breakdown in accelerator structures is generally understood in terms of electric field effects. These PBG structure results highlight the unexpected role of magnetic fields in breakdown. The hypothesis is presented that the moderate level electric field on the inner rods, about 14 MV/m, is enhanced at small tips and projections caused by pulsed heating, leading to breakdown. Future PBG structures should be built to minimize pulsed surface heating and temperature rise.

  4. Band gap bowing in NixMg1-xO

    Science.gov (United States)

    Niedermeier, Christian A.; Råsander, Mikael; Rhode, Sneha; Kachkanov, Vyacheslav; Zou, Bin; Alford, Neil; Moram, Michelle A.

    2016-08-01

    Epitaxial transparent oxide NixMg1-xO (0 ≤ x ≤ 1) thin films were grown on MgO(100) substrates by pulsed laser deposition. High-resolution synchrotron X-ray diffraction and high-resolution transmission electron microscopy analysis indicate that the thin films are compositionally and structurally homogeneous, forming a completely miscible solid solution. Nevertheless, the composition dependence of the NixMg1-xO optical band gap shows a strong non-parabolic bowing with a discontinuity at dilute NiO concentrations of x band structure and the density of states demonstrate that deep Ni 3d levels are introduced into the MgO band gap, which significantly reduce the fundamental gap as confirmed by optical absorption spectra. These states broaden into a Ni 3d-derived conduction band for x > 0.074 and account for the anomalously large band gap narrowing in the NixMg1-xO solid solution system.

  5. Photonic band gap enhancement in frequency-dependent dielectrics.

    Science.gov (United States)

    Toader, Ovidiu; John, Sajeev

    2004-10-01

    We illustrate a general technique for evaluating photonic band structures in periodic d -dimensional microstructures in which the dielectric constant epsilon (omega) exhibits rapid variations with frequency omega . This technique involves the evaluation of generalized electromagnetic dispersion surfaces omega ( k--> ,epsilon) in a (d+1) -dimensional space consisting of the physical d -dimensional space of wave vectors k--> and an additional dimension defined by the continuous, independent, variable epsilon . The physical band structure for the photonic crystal is obtained by evaluating the intersection of the generalized dispersion surfaces with the "cutting surface" defined by the function epsilon (omega) . We apply this method to evaluate the band structure of both two- and three-dimensional (3D) periodic microstructures. We consider metallic photonic crystals with free carriers described by a simple Drude conductivity and verify the occurrence of electromagnetic pass bands below the plasma frequency of the bulk metal. We also evaluate the shift of the photonic band structure caused by free carrier injection into semiconductor-based photonic crystals. We apply our method to two models in which epsilon (omega) describes a resonant radiation-matter interaction. In the first model, we consider the addition of independent, resonant oscillators to a photonic crystal with an otherwise frequency-independent dielectric constant. We demonstrate that for an inhomogeneously broadened distribution of resonators impregnated within an inverse opal structure, the full 3D photonic band gap (PBG) can be considerably enhanced. In the second model, we consider a coupled resonant oscillator mode in a photonic crystal. When this mode is an optical phonon, there can be a synergetic interplay between the polaritonic resonance and the geometrical scattering resonances of the structured dielectric, leading to PBG enhancement. A similar effect may arise when resonant atoms that are

  6. Enlargement of Photonic Band Gaps and Physical Picture of Photonic Band Structures

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yan; SHI Jun-Jie

    2006-01-01

    @@ Light propagation in a one-dimensional photonic crystal (PC), consisting of alternative slabs with refractive indices (layer thicknesses) n1 (a) and n2 (b), is investigated. An important optimal parameter matching condition,n1a ≈ n2b, is obtained for the largest photonic band gap (PBG). Moreover, we find that the exact analytical solutions for the electric/magnetic field eigenmodes at the band edges are standing waves with odd or even symmetry about the centre of each layer. The electric/magnetic field eigenfunctions at the top and bottom of the nth band have n and n - 1 nodes in one period of PC, respectively. The PBG arises from the symmetric differences of the field eigenfunctions at the band edges.

  7. Analysis of Photonic Band Gaps in a Two-Dimensional Triangular Lattice with Superconducting Hollow Rods

    Science.gov (United States)

    Diaz-Valencia, B. F.; Calero, J. M.

    2017-02-01

    In this work, we use the plane wave expansion method to calculate photonic band structures in two-dimensional photonic crystals which consist of high-temperature superconducting hollow rods arranged in a triangular lattice. The variation of the photonic band structure with respect to both, the inner radius and the system temperature, is studied, taking into account temperatures below the critical temperature of the superconductor in the low frequencies regime and assuming E polarization of the incident light. Permittivity contrast and nontrivial geometry of the hollow rods lead to the appearance of new band gaps as compared with the case of solid cylinders. Such band gaps can be modulated by means of the inner radius and system temperature.

  8. Lamb wave band gaps in locally resonant phononic crystal strip waveguides

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Yuanwei, E-mail: yaoyw@scut.edu.cn [Department of Physics, Guangdong University of Technology, Guangzhou 510006 (China); Wu, Fugen [Experiment and Educational Center, Guangdong University of Technology, Guangzhou 510006 (China); Zhang, Xin [Department of Physics, Guangdong University of Technology, Guangzhou 510006 (China); Hou, Zhilin [Department of Physics, South China University of Technology, Guangzhou 510640 (China)

    2012-01-09

    Using finite element method, we have made a theoretically study of the band structure of Lamb wave in a locally resonant phononic crystal strip waveguide with periodic soft rubber attached on the two sides of epoxy main plate. The numerical results show that the Lamb wave band gap based on local resonant mechanism can be opened up in the stub strip waveguides, and the width of the local resonant band gap is narrower than that based on the Bragg scattering mechanism. The results also show that the stub shape and width have influence on the frequency and width of the Lamb wave band gap. -- Highlights: ► The local resonant Lamb wave band gap can be opened up in a stub strip waveguides. ► The width of the local resonant band gap is narrower than that Bragg scattering band gap. ► The shape and width of the stub have strongly influence on the local resonant band gap.

  9. First Principles Study of Band Structure and Band Gap Engineering in Graphene for Device Applications

    Science.gov (United States)

    2015-03-20

    successfully to realise the full applications of graphene? What is the current status of the graphene based devices or Electronics ? How the graphene...gap value has increased to 1.5eV. It is reflected in the density of states (Fig.20c). The nitrogen atoms are at a distance of 5Ȧ. And there is a...completely modified.The calculation of surface doping of graphene with S is repeated with 96 atom simulation cell. The band gap value is 0.7 eV. The value of

  10. Transmission measurement of the photonic band gap of GaN photonic crystal slabs

    NARCIS (Netherlands)

    Caro, J.; Roeling, E.M.; Rong, B.; Nguyen, H.M.; Van der Drift, E.W.J.M.; Rogge, S.; Karouta, F.; Van der Heijden, R.W.; Salemink, H.W.M.

    2008-01-01

    A high-contrast-ratio (30 dB) photonic band gap in the near-infrared transmission of hole-type GaN two-dimensional photonic crystals (PhCs) is reported. These crystals are deeply etched in a 650 nm thick GaN layer grown on sapphire. A comparison of the measured spectrum with finite difference time d

  11. 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

  12. Two-dimensional boron-nitrogen-carbon monolayers with tunable direct band gaps

    Science.gov (United States)

    Zhang, Miao; Gao, Guoying; Kutana, Alex; Wang, Yanchao; Zou, Xiaolong; Tse, John S.; Yakobson, Boris I.; Li, Hongdong; Liu, Hanyu; Ma, Yanming

    2015-07-01

    The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D Bx/2Nx/2C1-x (0 optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer Bx/2Nx/2C1-x stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of Bx/2Nx/2C1-x phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p-n junction photovoltaic modules. The present results also show that the band gaps of Bx/2Nx/2C1-x can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices.The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D Bx/2Nx/2C1-x (0 optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer Bx/2Nx/2C1-x stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of Bx/2Nx/2C1-x phases possess direct band gaps within the optical range, thereby they can

  13. Graded band gap GaInNAs solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Langer, F.; Perl, S.; Kamp, M. [Technische Physik, Physikalisches Institut and Wilhelm Conrad Röntgen Research Center for Complex, Material Systems, University of Würzburg, Am Hubland, Würzburg D97074 (Germany); Höfling, S. [Technische Physik, Physikalisches Institut and Wilhelm Conrad Röntgen Research Center for Complex, Material Systems, University of Würzburg, Am Hubland, Würzburg D97074 (Germany); SUPA, School of Physics and Astronomy, University of St Andrews, St Andrews KY16 9SS (United Kingdom)

    2015-06-08

    Dilute nitride GaInN(Sb)As with a band gap (E{sub g}) of 1.0 eV is a promising material for the integration in next generation multijunction solar cells. We have investigated the effect of a compositionally graded GaInNAs absorber layer on the spectral response of a GaInNAs sub cell. We produced band gap gradings (ΔE{sub g}) of up to 39 meV across a 1 μm thick GaInNAs layer. Thereby, the external quantum efficiency—compared to reference cells—was increased due to the improved extraction of photo-generated carriers from 34.0% to 36.7% for the wavelength range from 900 nm to 1150 nm. However, this device figure improvement is accompanied by a small decrease in the open circuit voltage of about 20 mV and the shift of the absorption edge to shorter wavelengths.

  14. Narrow band gap conjugated polymers for emergent optoelectronic technologies

    Science.gov (United States)

    Azoulay, Jason D.; Zhang, Benjamin A.; London, Alexander E.

    2015-09-01

    Conjugated organic molecules effectively produce and harvest visible light and find utility in a variety of emergent optoelectronic technologies. There is currently interest in expanding the scope of these materials to extend functionality into the infrared (IR) spectral regions and endow functionality relevant in emergent technologies. Developing an understanding of the interplay between chemical and electronic structure in these systems will require control of the frontier orbital energetics (separation, position, and alignment), ground state electronic configurations, interchain arrangements, solid-state properties, and many other molecular features with synthetic precision that has yet to be demonstrated. Bridgehead imine substituted 4H-cyclopenta[2,1-b:3,4-b']dithiophene (CPDT) structural units, in combination with strong acceptors with progressively delocalized π-systems, afford modular donor-acceptor copolymers with broad and long wavelength absorption that spans technologically relevant wavelength (λ) ranges from 0.7 < λ < 3.2 μm.1 Here we demonstrate that electronic and structural manipulation play a major role in influencing the energetics of these systems and ultimately controlling the band gap of the materials. These results bear implication in the development of very narrow band gap systems where precise control will be necessary for achieving desired properties such as interactions with longer wavelength light.

  15. Photonic Band Gaps in Two-Dimensional Crystals with Fractal Structure

    Institute of Scientific and Technical Information of China (English)

    刘征; 徐建军; 林志方

    2003-01-01

    We simulate the changes of the photonic band structure of the crystal in two dimensions with a quasi-fractal structure when it is fined to a fractal. The result shows that when the dielectric distribution is fined, the photonic band structure will be compressed on the whole and the ground photonic band gap (PBG) closed while the next PBGs shrunk, in conjunction with their position declining in the frequency spectrum. Furthermore, the PBGs in the high zone are much more sensitive than those in low zones.

  16. Realization of band gap shrinkage to the spectral characteristics of high-luminous-efficiency 658 nm AlGaInP/GaInP multiple quantum well lasers at room temperatures

    Science.gov (United States)

    Chackrabarti, Santosh; Zargar, Rayees A.; Bansal, Jyoti; Zaker, Tho-alfiqar A.; Hafiz, A. K.

    2016-08-01

    The temperature dependent spectral shifts in 658 nm AlGaInP multiple quantum well (MQW) red laser diodes due to band gap narrowing at room temperatures (5 °Csbnd 45 °C) is reported. The density of states effective mass approximation and the conduction band effective mass approximation are employed to formulate the carrier concentrations. The spectral shift mechanism is explored with a threshold current density of 42.28 kA/cm2 and a good characteristic temperature of 149 K. The photoluminescence (PL) peak intensity shifts towards the higher wavelength(red shift) and the full width at half maximum (FWHM) increases with the increase in temperature. The band gap narrowing value determined by a simple formula amounts to 67.4 meV and displays N1/3 dependence at higher densities. The carrier density dependence conveys that the red shift of the spectral emission is due to band gap narrowing.

  17. Acoustic band gaps due to diffraction modes in two-dimensional phononic crystals

    Science.gov (United States)

    Kang, Hwi Suk; Lee, Kang Il; Yoon, Suk Wang

    2017-06-01

    In this study, we experimentally and theoretically investigated acoustic band gap control with diffraction modes in two-dimensional (2D) phononic crystals (PCs) consisting of periodic arrays of stainless steel (SS) rods immersed in water. We could classify the acoustic band gaps into two types with diffraction modes in the reflection region, and control the center frequencies of the band gaps by varying the vertical lattice constants. Pressure transmission coefficients and acoustic pressure fields were calculated using the finite element method (FEM), to classify and control the acoustic band gaps. As the vertical lattice constants were varied, the center frequencies of the band gaps, where only normal reflection occurred, were almost constant while those of the band gaps, where additional reflected waves with different propagation directions occurred, decreased with increasing the vertical lattice constants. This work can be used to manipulate acoustic band gap adding, splitting, and shifting.

  18. Unfolding the band structure of non-crystalline photonic band gap materials.

    Science.gov (United States)

    Tsitrin, Samuel; Williamson, Eric Paul; Amoah, Timothy; Nahal, Geev; Chan, Ho Leung; Florescu, Marian; Man, Weining

    2015-08-20

    Non-crystalline photonic band gap (PBG) materials have received increasing attention, and sizeable PBGs have been reported in quasi-crystalline structures and, more recently, in disordered structures. Band structure calculations for periodic structures produce accurate dispersion relations, which determine group velocities, dispersion, density of states and iso-frequency surfaces, and are used to predict a wide-range of optical phenomena including light propagation, excited-state decay rates, temporal broadening or compression of ultrashort pulses and complex refraction phenomena. However, band calculations for non-periodic structures employ large super-cells of hundreds to thousands building blocks, and provide little useful information other than the PBG central frequency and width. Using stereolithography, we construct cm-scale disordered PBG materials and perform microwave transmission measurements, as well as finite-difference time-domain (FDTD) simulations. The photonic dispersion relations are reconstructed from the measured and simulated phase data. Our results demonstrate the existence of sizeable PBGs in these disordered structures and provide detailed information of the effective band diagrams, dispersion relation, iso-frequency contours, and their angular dependence. Slow light phenomena are also observed in these structures near gap frequencies. This study introduces a powerful tool to investigate photonic properties of non-crystalline structures and provides important effective dispersion information, otherwise difficult to obtain.

  19. Atomically thin arsenene and antimonene: semimetal-semiconductor and indirect-direct band-gap transitions.

    Science.gov (United States)

    Zhang, Shengli; Yan, Zhong; Li, Yafei; Chen, Zhongfang; Zeng, Haibo

    2015-03-01

    The typical two-dimensional (2D) semiconductors MoS2, MoSe2, WS2, WSe2 and black phosphorus have garnered tremendous interest for their unique electronic, optical, and chemical properties. However, all 2D semiconductors reported thus far feature band gaps that are smaller than 2.0 eV, which has greatly restricted their applications, especially in optoelectronic devices with photoresponse in the blue and UV range. Novel 2D mono-elemental semiconductors, namely monolayered arsenene and antimonene, with wide band gaps and high stability were now developed based on first-principles calculations. Interestingly, although As and Sb are typically semimetals in the bulk, they are transformed into indirect semiconductors with band gaps of 2.49 and 2.28 eV when thinned to one atomic layer. Significantly, under small biaxial strain, these materials were transformed from indirect into direct band-gap semiconductors. Such dramatic changes in the electronic structure could pave the way for transistors with high on/off ratios, optoelectronic devices working under blue or UV light, and mechanical sensors based on new 2D crystals.

  20. Band Gap Engineering and Layer-by-Layer Band Gap Mapping of Selenium-doped Molybdenum Disulfide

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Yongji [Rice University; Liu, Zheng [Rice University; Lupini, Andrew R [ORNL; Lin, Junhao [ORNL; Pantelides, Sokrates T [ORNL; Pennycook, Stephen J [ORNL; Zhou, Wu [ORNL; Ajayan, Pullikel M [Rice University

    2014-01-01

    Ternary two-dimensional dichalcogenide alloys exhibit compositionally modulated electronic structure and hence, control of dopant concentration within each layer of these layered compounds provides a powerful way to modify their properties. The challenge then becomes quantifying and locating the dopant atoms within each layer in order to better understand and fine-tune the desired properties. Here we report the synthesis of selenium substitutionally doped molybdenum disulfide atomic layers, with a broad range of selenium concentrations, resulting in band gap modulations of over 0.2 eV. Atomic scale chemical analysis using Z-contrast imaging provides direct maps of the dopant atom distribution in individual MoS2 layers and hence a measure of the local band gaps. Furthermore, in a bilayer structure, the dopant distribution of each layer is imaged independently. We demonstrate that each layer in the bilayer contains similar doping levels, randomly distributed, providing new insights into the growth mechanism and alloying behavior in two-dimensional dichalcogenide atomic layers. The results show that growth of uniform, ternary, two-dimensional dichalcogenide alloy films with tunable electronic properties is feasible.

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

    Science.gov (United States)

    Li, Zhen; Wang, Xian; Li, Yue-ming

    2017-01-01

    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.

  2. 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.

  3. On the origin of inter band gap radiative emission in crystalline silicon

    Directory of Open Access Journals (Sweden)

    I. Burud

    2012-12-01

    Full Text Available Crystal imperfections degrade the quality of multicrystalline silicon wafers by introducing alternative recombination mechanisms. Here we use non-destructive hyperspectral imaging to detect photoluminescence signals from radiatively active recombination processes over the wafer with a highly resolved spectral third dimension. We demonstrate that band-to-band recombination can be visually separated from recombination through traps across the whole surface of a wafer using hyperspectral imaging. Our samples are studied in the near infrared wavelength region, 900-1700 nm, which includes the region of the so called D-band emission lines. These constitute four resolved emission lines found in the photoluminescence spectrum of silicon, commonly related to recombination through shallow inter-band gap energy levels near the conduction- and valence band edges. The shape and structure of these emissions from our measurements suggest that all the D-lines have different origins.

  4. The Role of Short-Range Order and Hyperuniformity in the Formation of Band Gaps in Disordered Photonic Materials

    CERN Document Server

    Froufe-Pérez, Luis S; Damasceno, Pablo F; Muller, Nicolas; Haberko, Jakub; Glotzer, Sharon C; Scheffold, Frank

    2016-01-01

    We study photonic band gap formation in two-dimensional high refractive index disordered ma- terials where the dielectric structure is derived from packing disks in real and reciprocal space. Numerical calculations of the photonic density of states demonstrate the presence of a band gap for all polarizations in both cases. We find that the band gap width is controlled by the increase in positional correlation inducing short-range order and hyperuniformity concurrently. Our findings suggest that the optimization of short-range order, in particular the tailoring of Bragg scattering at the isotropic Brillouin zone, are of key importance for designing disordered PBG materials.

  5. Influence of zinc concentration on band gap and sub-band gap absorption on ZnO nanocrystalline thin films sol-gel grown

    Directory of Open Access Journals (Sweden)

    Munirah

    2017-02-01

    Full Text Available ZnO thin films were fabricated on quartz substrates at different zinc acetate molar concentrations using sol-gel spin coating method. The samples were characterized using X-ray diffraction, field emission scanning electron microscope, UV-Vis spectroscopy, FT-IR spectroscopy and photoluminescence spectroscopy. Sub-band gap absorption of ZnO thin films in the forbidden energy region was carried out using highly sensitive photothermal deflection spectroscopy (PDS. The absorption coefficients of ZnO thin films increased in the range of 1.5 eV to 3.0 eV, upon increasing zinc concentration. The optical band gaps were evaluated using Tauc’s plots and found to be in the range of 3.31 eV to 3.18 eV. They showed the red shift in the band edge on increase in zinc concentration. The PL spectra of ZnO thin films revealed the characteristic band edge emission centered at the 396 nm along with green emission centered at the 521 nm.

  6. Radiation Bandwidth Improvement of Electromagnetic Band Gap Cavity Antenna

    Science.gov (United States)

    Chaabane, Abdelhalim; Djahli, Farid; Attia, Hussein; Denidni, Tayeb. A.

    2017-09-01

    In this paper, an electromagnetic band gap cavity antenna with improved radiation and impedance bandwidths is presented. The proposed antenna is constructed by placing a triple-layer heterogeneous printed-unprinted partially reflective surface (PRS) above a primary aperture-coupled patch antenna. The PRS unit-cell provides a positive gradient reflection phase behavior over the desired frequency range. A prototype antenna is fabricated and measured that highlighted its ability to achieve 3-dB gain bandwidth of about 35.9 %, from 7.93 GHz to 11.4 GHz, with a peak gain of 14.25 dBi at 8.5 GHz. In addition, the impedance bandwidth is 40.32 %, from 7.9 GHz to 11.89 GHz. Thus, the designed antenna outperforms many other competitors for improving the radiation bandwidth of planar antennas with the same presented concept.

  7. Large acoustic band gaps created by rotating square rods in two-dimensional periodic composites

    CERN Document Server

    Li Xiao Ling; Hu He Fei; Zhong Shao; Liu You Yan

    2003-01-01

    Effects of orientations of square rods on the acoustic band gaps in two-dimensional periodic arrays of rigid solid rods embedded in air are studied. The acoustic band gaps will be opened and enlarged greatly by increasing the rotation angle. For any filling fraction F, the maximum acoustic band gaps appear at the same rotation angle theta = 45 deg. for the cases of F<=0.50, otherwise they will appear at different limit values theta sub c and the largest band gap is achieved at a filling fraction of about F=0.85. This gap-tuning effect will be stronger with increase in filling fraction. This tuning mechanism of band gap suggests a new way to design band gaps of two-dimensional phononic crystals. (rapid communication)

  8. Steric engineering of metal-halide perovskites with tunable optical band gaps.

    Science.gov (United States)

    Filip, Marina R; Eperon, Giles E; Snaith, Henry J; Giustino, Feliciano

    2014-12-15

    Owing to their high energy-conversion efficiency and inexpensive fabrication routes, solar cells based on metal-organic halide perovskites have rapidly gained prominence as a disruptive technology. An attractive feature of perovskite absorbers is the possibility of tailoring their properties by changing the elemental composition through the chemical precursors. In this context, rational in silico design represents a powerful tool for mapping the vast materials landscape and accelerating discovery. Here we show that the optical band gap of metal-halide perovskites, a key design parameter for solar cells, strongly correlates with a simple structural feature, the largest metal-halide-metal bond angle. Using this descriptor we suggest continuous tunability of the optical gap from the mid-infrared to the visible. Precise band gap engineering is achieved by controlling the bond angles through the steric size of the molecular cation. On the basis of these design principles we predict novel low-gap perovskites for optimum photovoltaic efficiency, and we demonstrate the concept of band gap modulation by synthesising and characterising novel mixed-cation perovskites.

  9. Solid-State Nanopore Confinement for Band Gap Engineering of Metal-Halide Perovskites

    CERN Document Server

    Demchyshyn, Stepan; Groiss, Heiko; Heilbrunner, Herwig; Ulbricht, Christoph; Apaydin, Dogukan; Rütt, Uta; Bertram, Florian; Hesser, Günter; Scharber, Markus; Nickel, Bert; Sariciftci, Niyazi Serdar; Bauer, Siegfried; Głowacki, Eric Daniel; Kaltenbrunner, Martin

    2016-01-01

    Tuning the band gap of semiconductors via quantum size effects launched a technological revolution in optoelectronics, advancing solar cells, quantum dot light-emitting displays, and solid state lasers. Next generation devices seek to employ low-cost, easily processable semiconductors. A promising class of such materials are metal-halide perovskites, currently propelling research on emerging photovoltaics. Their narrow band emission permits very high colour purity in light-emitting devices and vivid life-like displays paired with low-temperature processing through printing-compatible methods. Success of perovskites in light-emitting devices is conditional upon finding reliable strategies to obtain tunability of the band gap. So far, colour can be tuned chemically by mixed halide stoichiometry, or by synthesis of colloidal particles. Here we introduce a general strategy of controlling shape and size of perovskite nanocrystallites (less than 10 nm) in domains that exhibit strong quantum size effects. Without ma...

  10. 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....

  11. II-VI wide band gap semiconductors under hydrostatic pressure

    Science.gov (United States)

    Baquero, R.; Decoss, R.; Olguin, D.

    1993-08-01

    We set an analytical expression for the gap as a function of hydrostatic deformation, E(sub g)(epsilon), by diagonalizing in Gamma the corresponding empirical tight-binding Hamiltonian (ETBH). In the ETBH we use the well known d(exp -2) Harrison scaling law (HSL) to adjust the TB parameter (TBP) to the changes in interatomic distances. We do not consider cation-anion charge transfer. We calculate E(sub g)(epsilon) for wide band gap II-VI semiconductors with zincblende crystal structure for deformations under pressure up to -5 percent. Results are in good agreement with experiment for the compounds of lower ionicity but deviate as the ionicity of the compound increases. This is due to the neglect of charge transfer which should be included self-consistently. Within the approximation we always find a positive second derivative of E(sub g)(epsilon) with respect to epsilon, independent of the material. Furthermore, the inclusion of deviations from HSL appear to be unimportant to this problem.

  12. Nonideal anion displacement, band gap variation, and valence band splitting in Cu-In-Se compounds

    Energy Technology Data Exchange (ETDEWEB)

    Reena Philip, Rachel [Solid State Physics Laboratory, Department of Physics, Cochin University of Science and Technology, Kochi-682022 Kerala (India)]. E-mail: reenatara@cusat.ac.in; Pradeep, B. [Solid State Physics Laboratory, Department of Physics, Cochin University of Science and Technology, Kochi-682022 Kerala (India)

    2005-01-24

    Polycrystalline thin films of ternary chalcopyrite CuInSe{sub 2} and defect compounds CuIn{sub 3}Se{sub 5} and CuIn{sub 5}Se{sub 8} are prepared in vacuum by three-source coevaporation method. Structural and optical characterizations of the films are done using X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDAX), and optical absorbance spectra measurements. With variation in the composition of CuInSe{sub 2}, a change over from p-type to n-type conductivity is observed (as noted by the hot probe method). The deformation parameters and the anion displacements are calculated from the X-ray diffraction data, and the cation-anion bond lengths are deduced. The dependence of band gap variation on nonideal anion displacement in the ternary compounds and the effect of Se-p-Cu-d repulsion on band gap are studied. The threefold optical structure observed in the fundamental absorption region of the absorption spectra is analysed to extract the valence band splitting parameters. Hopfields quasi-cubic model adapted for chalcopyrites with tetragonal deformation is used to determine the crystal field splittings and spin orbit splittings, and the linear hybridization model is used to calculate the percentage of d-orbital and p-orbital contribution to hybridization in the compounds under consideration.

  13. 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, Pr4-xCaxSi12O3+xN18-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).

  14. Lewis acid adducts of narrow band gap conjugated polymers.

    Science.gov (United States)

    Welch, Gregory C; Bazan, Guillermo C

    2011-03-30

    We report on the interaction of Lewis acids with narrow band gap conjugated copolymers containing donor and acceptor units. Examination of the widely used poly[(4,4-bis(2-ethylhexyl)cyclopenta-[2,1-b:3,4-b']dithiophene)-2,6-(diyl-alt-benzo[2,1,3]thiadiazole)-4,7-diyl] (1) shows weaker binding with B(C(6)F(5))(3) when compared with a small molecule that contains a cyclopenta-[2,1-b:3,4-b']dithiophene (CDT) unit flanked by two benzo[2,1,3]thiadiazole (BT) fragments. Studies on model compounds representative of 1, together with a comparison between B(C(6)F(5))(3) and BBr(3), indicate that the propensity for Lewis acid coordination is decreased because of steric encumbrance surrounding the BT nitrogen sites. These observations led to the design of chromophores that incorporate an acceptor unit with a more basic nitrogen site, namely pyridal[2,1,3]thiadiazole (PT). That this strategy leads to a stronger B-N interaction was demonstrated through the examination of the reaction of B(C(6)F(5))(3) with two small molecules bis(4,4-bis(hexyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene)-4,7-pyridal[2,1,3]thiadiazole (8) and bis{2-thienyl-(4,4-bis(hexyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene)}-4,7-pyridal[2,1,3]thiadiazole (9) and two polymer systems (poly[(4,4-bis(2-ethylhexyl)cyclopenta-[2,1-b:3,4-b']dithiophene)-2,6-diyl-alt-([1,2,5]thiadiazolo[3,4-c]pyridine)-4,7-diyl] (10) and poly[(4,4-bis(2-ethylhexyl)cyclopenta-[2,1-b:3,4-b']dithiophene)-2,6-diyl-alt-(4',7'-bis(2-thienyl)-[1,2,5]thiadiazolo[3,4-c]pyridine)-5,5-diyl] (11). From a materials perspective, it is worth pointing out that through the binding of B(C(6)F(5))(3), new NIR-absorbing polymers can be generated with band gaps from 1.31 to 0.89 eV. A combination of studies involving ultraviolet photoemission spectroscopy and density functional theory shows that the narrowing of the band gap upon borane coordination to the pyridal nitrogen on PT is a result of lowering the energies of both the highest occupied molecular

  15. Optical Properties of One-dimensional Three-component Photonic Band Gap Structure

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Theoretical study of the optical properties of one-dimensional three-component photonic band gap structure, which is composed of three alternating dielectric layers of different refractive indices and thickness in a unit cell, is performed. This one-dimensional photonic band gap structure exhibits the transparency band and forbidden band. We find that there are several mini-bands of the allowed transmission to be created within the photonic band gap region of the structure if a defect designed specially is introduced inside the structure. This characteristic is very important for some practical applications.

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

    OpenAIRE

    2012-01-01

    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 ...

  17. Synthesis and Band Gap Control in Three-Dimensional Polystyrene Opal Photonic Crystals

    Institute of Scientific and Technical Information of China (English)

    LIU Ye; ZHENG Zhong-Yu; QIN Fei; ZHOU Fei; ZHOU Chang-Zhu; ZHANG Dao-Zhong; MENG Qing-Bo; LI Zhi-Yuan

    2008-01-01

    High-quality three-dimensional polystyrene opal photonic crystals are fabricated by vertical deposition method.The transmission properties with different incident angles and different composite refractive index contrasts are experimentally and theoretically studied. Good agreement between the experiment and theory is achieved. We find that with the increasing incident angle, the gap position shifts to the short wavelength (blue shift) and the gap becomes shallower; and with the increase of refractive index of the opal void materials and decrease the contrast of refractive index, the gap position shifts to the long wavelength (red shift). At the same time, we observe the swelling effects when the sample is immerged in the solutions with different refractive indices, which make the microsphere diameter in solution become larger than that in air. The understanding of band gap shift behaviour may be helpful in designing optical sensors and tunable photonic crystal ultrafast optical switches.

  18. 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.

  19. Magneto-resistive property study of direct and indirect band gap thermoelectric Bi-Sb alloys

    Science.gov (United States)

    Das, Diptasikha; Malik, K.; Bandyopadhyay, S.; Das, D.; Chatterjee, S.; Banerjee, Aritra

    2014-08-01

    We report magneto-resistive properties of direct and indirect band gap Bismuth-Antimony (Bi-Sb) alloys. Band gap increases with magnetic field. Large positive magnetoresistance (MR) approaching to 400% is observed. Low field MR experiences quadratic growth and at high field it follows a nearly linear behavior without sign of saturation. Carrier mobility extracted from low field MR data depicts remarkable high value of around 5 m2V-1s-1. Correlation between MR and mobility is revealed. We demonstrate that the strong nearly linear MR at high field can be well understood by classical method, co-build by Parish and Littlewood, Nature 426, 162 (2003) and Phys. Rev. B 72, 094417 (2005).

  20. Ultra-wide acoustic band gaps in pillar-based phononic crystal strips

    Energy Technology Data Exchange (ETDEWEB)

    Coffy, Etienne, E-mail: etienne.coffy@femto-st.fr; Lavergne, Thomas; Addouche, Mahmoud; Euphrasie, Sébastien; Vairac, Pascal; Khelif, Abdelkrim [FEMTO-ST Institute, Université de Franche-Comté, UBFC, CNRS, ENSMM, UTBM, 15B Av. des Montboucons, F-25030 Besançon (France)

    2015-12-07

    An original approach for designing a one dimensional phononic crystal strip with an ultra-wide band gap is presented. The strip consists of periodic pillars erected on a tailored beam, enabling the generation of a band gap that is due to both Bragg scattering and local resonances. The optimized combination of both effects results in the lowering and the widening of the main band gap, ultimately leading to a gap-to-midgap ratio of 138%. The design method used to improve the band gap width is based on the flattening of phononic bands and relies on the study of the modal energy distribution within the unit cell. The computed transmission through a finite number of periods corroborates the dispersion diagram. The strong attenuation, in excess of 150 dB for only five periods, highlights the interest of such ultra-wide band gap phononic crystal strips.

  1. Research on the elastic wave band gaps of curved beam of phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Shaogang, Liu; Shidan, Li; Haisheng, Shu, E-mail: shuhaisheng@hrbeu.edu.cn; Weiyuan, Wang; Dongyan, Shi; Liqiang, Dong; Hang, Lin; Wei, Liu

    2015-01-15

    Based on wave equations of Timoshenko curved beam, the theoretical derivation and numerical calculation of the behavior of in-plane and out-of-plane wave propagating in curved beam of phononic crystals (CBPC) are carried out using transfer matrix method combined with the Bloch theorem. Finite CBPC is also simulated by FEM method. It is shown that both in-plane and out-of-plane elastic waves band gaps exist in CBPC. Compared with equivalent straight beam of phononic crystals (SBPC), CBPC has some unique characteristics, such as the first complete in-plane band gap, special in-plane coupling band gap, and out-of-plane coupling band gap. In those band gaps, CBPC has a better property of vibration reduction than the equivalent SBPC in some ways. Furthermore, effects of curvature of CBPC on the in-plane and out-of-plane band gaps are discussed.

  2. Two-dimensional photonic crystals with large complete photonic band gaps in both TE and TM polarizations.

    Science.gov (United States)

    Wen, Feng; David, Sylvain; Checoury, Xavier; El Kurdi, Moustafa; Boucaud, Philippe

    2008-08-04

    Photonic crystals exhibiting a photonic band gap in both TE and TM polarizations are particularly interesting for a better control of light confinement. The simultaneous achievement of large band gaps in both polarizations requires to reduce the symmetry properties of the photonic crystal lattice. In this letter, we propose two different designs of two-dimensional photonic crystals patterned in high refractive index thin silicon slabs. These slabs are known to limit the opening of photonic band gaps for both polarizations. The proposed designs exhibit large complete photonic band gaps: the first photonic crystal structure is based on the honey-comb lattice with two different hole radii and the second structure is based on a "tri-ellipse" pattern in a triangular lattice. Photonic band gap calculations show that these structures offer large complete photonic band gaps deltaomega/omega larger than 10% between first and second photonic bands. This figure of merit is obtained with single-mode slab waveguides and is not restricted to modes below light cone.

  3. Reduction of Refractive Index Contrast Threshold for Photonic Band-Gap in Square Lattices

    Institute of Scientific and Technical Information of China (English)

    WANG Jian-Feng; HUANG Yi-Dong; ZHANG Wei; PENG Jiang-De

    2005-01-01

    @@ The threshold of refractive index contrast (RIC) to open a photonic band gap can be reduced by symmetry breaking. For the case of square lattice composed by dielectric cylinders, the absolute band gap is demonstrated by inserting small rods in the centre of the lattices, and the threshold RIC is reduced to 3.8. As for the square lattices composed by air holes in dielectric, the minimal RIC required for an absolute band gap decreases to 2.20.

  4. Two-dimensional microwave band-gap structures of different dielectric materials

    Indian Academy of Sciences (India)

    E D V Nagesh; G Santosh Babu; V Subramanian; V Sivasubramanian; V R K Murthy

    2005-12-01

    We report the use of low dielectric constant materials to form two-dimensional microwave band-gap structures for achieving high gap-to-midgap ratio. The variable parameters chosen are the lattice spacing and the geometric structure. The selected geometries are square and triangular and the materials chosen are PTFE ( = 2.1), PVC ( = 2.38) and glass ( = 5.5). Using the plane-wave expansion method, proper lattice spacing is selected for each structure and material. The observed experimental results are analyzed with the help of the theoretical prediction.

  5. Low-frequency band gaps in chains with attached non-linear oscillators

    DEFF Research Database (Denmark)

    Lazarov, Boyan Stefanov; Jensen, Jakob Søndergaard

    2007-01-01

    in structures with periodic or random inclusions are located mainly in the high frequency range, as the wavelength has to be comparable with the distance between the alternating parts. Band gaps may also exist in structures with locally attached oscillators. In the linear case the gap is located around......The aim of this article is to investigate the wave propagation in one-dimensional chains with attached non-linear local oscillators by using analytical and numerical models. The focus is on the influence of non-linearities on the filtering properties of the chain in the low frequency range...

  6. Analytical and Numerical Calculations of Two-Dimensional Dielectric Photonic Band Gap Structures and Cavities for Laser Acceleration

    CERN Document Server

    Samokhvalova, Ksenia R; Liang Qian, Bao

    2005-01-01

    Dielectric photonic band gap (PBG) structures have many promising applications in laser acceleration. For these applications, accurate determination of fundamental and high order band gaps is critical. We present the results of our recent work on analytical calculations of two-dimensional (2D) PBG structures in rectangular geometry. We compare the analytical results with computer simulation results from the MIT Photonic Band Gap Structure Simulator (PBGSS) code, and discuss the convergence of the computer simulation results to the analytical results. Using the accurate analytical results, we design a mode-selective 2D dielectric cylindrical PBG cavity with the first global band gap in the frequency range of 8.8812 THz to 9.2654 THz. In this frequency range, the TM01-like mode is shown to be well confined.

  7. Band gap engineering in silicene: A theoretical study of density functional tight-binding theory

    Science.gov (United States)

    Zaminpayma, Esmaeil; Nayebi, Payman

    2016-10-01

    In this work, we performed first principles calculations based on self-consistent charge density functional tight-binding to investigate different mechanisms of band gap tuning of silicene. We optimized structures of silicene sheet, functionalized silicene with H, CH3 and F groups and nanoribbons with the edge of zigzag and armchair. Then we calculated electronic properties of silicene, functionalized silicene under uniaxial elastic strain, silicene nanoribbons and silicene under external electrical fields. It is found that the bond length and buckling value for relaxed silicene is agreeable with experimental and other theoretical values. Our results show that the band gap opens by functionalization of silicene. Also, we found that the direct band gap at K point for silicene changed to the direct band gap at the gamma point. Also, the functionalized silicene band gap decrease with increasing of the strain. For all sizes of the zigzag silicene nanoribbons, the band gap is near zero, while an oscillating decay occurs for the band gap of the armchair nanoribbons with increasing the nanoribbons width. At finally, it can be seen that the external electric field can open the band gap of silicene. We found that by increasing the electric field magnitude the band gap increases.

  8. Differences of Band Gap Characteristics of Square and Triangular Lattice Photonic Crystals in Terahertz Range

    Institute of Scientific and Technical Information of China (English)

    Jie Zha; Zhi-Yong Zhong; Huai-Wu Zhang; Qi-Ye Wen; Yuan-Xun Li

    2009-01-01

    Band gap characteristics of the photonic crystals in terahertz range with square lattice and triangular lattice of GaAs cylinders are comparatively studied by means of plane wave method (PWM). The influence of the radius on the band gap width is analyzed and the critical values where the band gap appears are put forward. The results show that themaximum band gap width of photonic crystal with triangular lattice of GaAs cylinders is much wider than that of photonic crystal with square lattice. The research provides a theoretic basis for the development of terahertz (THz) devices.

  9. Low Band Gap Polymers for Roll-to-Roll Coated Polymer Solar Cells

    DEFF Research Database (Denmark)

    2010-01-01

    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 was expl......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...

  10. LC Filter Design for Wide Band Gap Device Based Adjustable Speed Drives

    DEFF Research Database (Denmark)

    Vadstrup, Casper; Wang, Xiongfei; Blaabjerg, Frede

    2014-01-01

    the LC filter with a higher cut off frequency and without damping resistors. The selection of inductance and capacitance is chosen based on capacitor voltage ripple and current ripple. The filter adds a base load to the inverter, which increases the inverter losses. It is shown how the modulation index......This paper presents a simple design procedure for LC filters used in wide band gap device based adjustable speed drives. Wide band gap devices offer fast turn-on and turn-off times, thus producing high dV/dt into the motor terminals. The high dV/dt can be harmful for the motor windings and bearings...... affects the capacitor capacitor and the inverter current....

  11. Thermal tuning the reversible optical band gap of self-assembled polystyrene photonic crystals

    Science.gov (United States)

    Vakili Tahami, S. H.; Pourmahdian, S.; Shirkavand Hadavand, B.; Azizi, Z. S.; Tehranchi, M. M.

    2016-11-01

    Nano-sized polymeric colloidal particles could undergo self-organization into three-dimensional structures to produce desired optical properties. In this research, a facile emulsifier-free emulsion polymerization method was employed to synthesize highly mono-disperse sub-micron polystyrene colloids. A high quality photonic crystal (PhC) structure was prepared by colloidal polystyrene. The reversible thermal tuning effect on photonic band gap position as well as the attenuation of the band gap was investigated in detail. The position of PBG can be tuned from 420 nm to 400 nm by varying the temperature of the PhC structure, reversibly. This reversible effect provides a reconfigurable PhC structure which could be used as thermo-responsive shape memory polymers.

  12. Short pulse equations and localized structures in frequency band gaps of nonlinear metamaterials

    Energy Technology Data Exchange (ETDEWEB)

    Tsitsas, N.L. [School of Applied Mathematical and Physical Sciences, National Technical University of Athens, Zografos, Athens 15773 (Greece); Horikis, T.P. [Department of Mathematics, University of Ioannina, Ioannina 45110 (Greece); Shen, Y.; Kevrekidis, P.G.; Whitaker, N. [Department of Mathematics and Statistics, University of Massachusetts, Amherst, MA 01003-4515 (United States); Frantzeskakis, D.J., E-mail: dfrantz@phys.uoa.g [Department of Physics, University of Athens, Panepistimiopolis, Zografos, Athens 157 84 (Greece)

    2010-03-01

    We consider short pulse propagation in nonlinear metamaterials characterized by a weak Kerr-type nonlinearity in their dielectric response. Two short-pulse equations (SPEs) are derived for the high- and low-frequency 'band gaps' (where linear electromagnetic waves are evanescent) with linear effective permittivity epsilon<0 and permeability mu>0. The structure of the solutions of the SPEs is also briefly discussed, and connections with the soliton solutions of the nonlinear Schroedinger equation are made.

  13. Design Analysis of An Electromagnetic Band Gap Microstrip Antenna

    Directory of Open Access Journals (Sweden)

    M. S. Alam

    2011-01-01

    Full Text Available Problem statement: Wideband compact antenna is highly demandable due to the dynamic development in the wireless technology. Approach: A simple, compact EBG microstrip antenna is proposed in this study that covers a wideband of 250 GHz and the design is conformal with the 2.45 GHz ISM band (WLAN, IEEE 802.11b and g/Bluetooth/RFID applications. Results: A 6×6 array of square unit cell formed the EBG structure which is incorporated with the radiating patch to enhance the antenna performances. This design achieved an impedance bandwidth of 10.14% (2.34-2.59 GHz at -10 dB return loss and VSWR ≤ 2. Simulated radiation pattern is almost omnideirectional. Conclusion/Recommendations: The simulated results prove the compatibility of the EBG antenna with the 2.45 GHz ISM band applications. Further enhancement of the antenna performance with improved design is under consideration.

  14. 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.

  15. Pattern reconfigurable antenna using electromagnetic band gap structure

    Science.gov (United States)

    Ismail, M. F.; Rahim, M. K. A.; Majid, H. A.; Hamid, M. R.; Yusoff, M. F. M.; Dewan, R.

    2017-01-01

    In this paper, a single rectangular patch antenna incorporated with an array of electromagnetic band gap (EBG) structures is proposed. The proposed antenna features radiation pattern agility by means of connecting the shorting pin vias to the EBG unit cells. The proposed design consists of 32 mm × 35.5 mm rectangular patch antenna and 10.4-mm-square mushroom-like EBG unit cells. The EBGs are placed at both sides of the antenna radiating patch and located on the thicker substrate of thickness, h. The copper tape which represents the PIN diode is used to control the connection between the EBG's via and the ground plane as reconfigurable mechanism of the antenna. The simulated result shows by switching the ON and OFF EBG structures in either sides or both, the directional radiation pattern can be tilted from 0 to +14°. The proposed antenna exhibits 7.2 dB realized gain at 2.42 GHz. The parametric study on EBG and antenna is also discussed.

  16. 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.

  17. 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.

  18. {ital In Situ} Band Gap Engineering of Carbon Nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Crespi, V.H.; Cohen, M.L. [Department of Physics, University of California at Berkeley, Berkeley, California 94720, and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Rubio, A. [Departamento de Fisica Teorica, Universidad de Valladolid, E-47011 Valladolid (Spain)

    1997-09-01

    Bond rotation defects close the gap in large-gap nanotubes, open the gap in small-gap nanotubes, and increase the density of states in metallic nanotubes. Not only are these defects likely to be present in as-grown nanotubes, but they could be introduced locally into intact nanotubes, thereby opening a new road towards device applications. {copyright} {ital 1997} {ital The American Physical Society}

  19. 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}.

  20. Local density of optical states of an asymmetric waveguide grating at photonic band gap resonant wavelength

    Science.gov (United States)

    Alatas, Husin; Sumaryada, Tony I.; Ahmad, Faozan

    2015-01-01

    We have investigated the characteristics of local density of optical states (LDOS) at photonic band gap resonant wavelength of an asymmetric waveguide grating based on Green's function formulation. It is found that the LDOS of the considered structure exhibits different characteristics in its localization between the upper and lower resonant wavelengths of the corresponding photonic band gap edges.

  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....

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

    Science.gov (United States)

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

    2016-12-01

    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.

  3. Maximizing phononic band gaps in piezocomposite materials by means of topology optimization.

    Science.gov (United States)

    Vatanabe, Sandro L; Paulino, Glaucio H; Silva, Emílio C N

    2014-08-01

    Phononic crystals (PCs) can exhibit phononic band gaps within which sound and vibrations at certain frequencies do not propagate. In fact, PCs with large band gaps are of great interest for many applications, such as transducers, elastic/acoustic filters, noise control, and vibration shields. Previous work in the field concentrated on PCs made of elastic isotropic materials; however, band gaps can be enlarged by using non-isotropic materials, such as piezoelectric materials. Because the main property of PCs is the presence of band gaps, one possible way to design microstructures that have a desired band gap is through topology optimization. Thus in this work, the main objective is to maximize the width of absolute elastic wave band gaps in piezocomposite materials designed by means of topology optimization. For band gap calculation, the finite element analysis is implemented with Bloch-Floquet theory to solve the dynamic behavior of two-dimensional piezocomposite unit cells. Higher order frequency branches are investigated. The results demonstrate that tunable phononic band gaps in piezocomposite materials can be designed by means of the present methodology.

  4. Theoretical study of relative width of photonic band gap for the 3-D dielectric structure

    Indian Academy of Sciences (India)

    G K Johri; Akhilesh Tiwari; Saumya Saxena; Rajesh Sharma; Kuldeep Srivastava; Manoj Johri

    2002-03-01

    Calculations for the relative width (/0) as a function 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.

  5. Simultaneous existence of phononic and photonic band gaps in periodic crystal slabs.

    Science.gov (United States)

    Pennec, Y; Djafari Rouhani, B; El Boudouti, E H; Li, C; El Hassouani, Y; Vasseur, J O; Papanikolaou, N; Benchabane, S; Laude, V; Martinez, A

    2010-06-21

    We discuss the simultaneous existence of phononic and photonic band gaps in a periodic array of holes drilled in a Si membrane. We investigate in detail both the centered square lattice and the boron nitride (BN) lattice with two atoms per unit cell which include the simple square, triangular and honeycomb lattices as particular cases. We show that complete phononic and photonic band gaps can be obtained from the honeycomb lattice as well as BN lattices close to honeycomb. Otherwise, all investigated structures present the possibility of a complete phononic gap together with a photonic band gap of a given symmetry, odd or even, depending on the geometrical parameters.

  6. Carrier plasmon induced nonlinear band gap renormalization in two-dimensional semiconductors.

    Science.gov (United States)

    Liang, Yufeng; Yang, Li

    2015-02-13

    In reduced-dimensional semiconductors, doping-induced carrier plasmons can strongly couple with quasiparticle excitations, leading to a significant band gap renormalization. However, the physical origin of this generic effect remains obscure. We develop a new plasmon-pole theory that efficiently and accurately captures this coupling. Using monolayer MoS(2) and MoSe(2) as prototype two-dimensional (2D) semiconductors, we reveal a striking band gap renormalization above 400 meV and an unusual nonlinear evolution of their band gaps with doping. This prediction significantly differs from the linear behavior that is observed in one-dimensional structures. Notably, our predicted band gap renormalization for MoSe(2) is in excellent agreement with recent experimental results. Our developed approach allows for a quantitative understanding of many-body interactions in general doped 2D semiconductors and paves the way for novel band gap engineering techniques.

  7. Simultaneous two-dimensional phononic and photonic band gaps in opto-mechanical crystal slabs.

    Science.gov (United States)

    Mohammadi, Saeed; Eftekhar, Ali A; Khelif, Abdelkrim; Adibi, Ali

    2010-04-26

    We demonstrate planar structures that can provide simultaneous two-dimensional phononic and photonic band gaps in opto-mechanical (or phoxonic) crystal slabs. Different phoxonic crystal (PxC) structures, composed of square, hexagonal (honeycomb), or triangular arrays of void cylindrical holes embedded in silicon (Si) slabs with a finite thickness, are investigated. Photonic band gap (PtBG) maps and the complete phononic band gap (PnBG) maps of PxC slabs with different radii of the holes and thicknesses of the slabs are calculated using a three-dimensional plane wave expansion code. Simultaneous phononic and photonic band gaps with band gap to midgap ratios of more than 10% are shown to be readily obtainable with practical geometries in both square and hexagonal lattices, but not for the triangular lattice.

  8. Understanding Band Gaps of Solids in Generalized Kohn-Sham Theory

    CERN Document Server

    Perdew, John P; 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

    2016-01-01

    The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. But 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 new theorem: In generalized KS theory (GKS), the band gap 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 meta-generalized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential, It 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 provides a numerical illustration.

  9. Numerical modelling of Mars supersonic disk-gap-band parachute inflation

    Science.gov (United States)

    Gao, Xinglong; Zhang, Qingbin; Tang, Qiangang

    2016-06-01

    The transient dynamic behaviour of supersonic disk-gap-band parachutes in a Mars entry environment involving fluid structure interactions is studied. Based on the multi-material Arbitrary Lagrange-Euler method, the coupling dynamic model between a viscous compressible fluid and a flexible large deformation structure of the parachute is solved. The inflation performance of a parachute with a fixed forebody under different flow conditions is analysed. The decelerating parameters of the parachute, including drag area, opening loads, and coefficients, are obtained from the supersonic wind tunnel test data from NASA. Meanwhile, the evolution of the three-dimensional shape of the disk-gap-band parachute during supersonic inflation is presented, and the structural dynamic behaviour of the parachute is predicted. Then, the influence of the presence of the capsule on the flow field of the parachute is investigated, and the wake of unsteady fluid and the distribution of shock wave around the supersonic parachute are presented. Finally, the structural dynamic response of the canopy fabric under high-pressure conditions is comparatively analysed. The results show that the disk-gap-band parachute is well inflated without serious collapse. As the Mach numbers increase from 2.0 to 2.5, the drag coefficients gradually decrease, along with a small decrease in inflation time, which corresponds with test results, and proves the validity of the method proposed in this paper.

  10. Photonic band gap of one-dimensional periodic structure containing dispersive left-handed metamaterials

    Institute of Scientific and Technical Information of China (English)

    Zhanshan Wang; Tian Sang; Fengli Wang; Yonggang Wu; Lingyan Chen

    2008-01-01

    Band structures of one-dimensional(1D)photonic crystals(PCs)containing dispersive left-handed metamaterials are studied theoretically.The results show that the structure possesses a type of photonic band gap originating from total internal reflection(TIR).In contrast to photonic band gaps corresponding to zero average refractive index and zero phase.the TIR gap exhibits sharp angular effect and has no polarization effect.It should also be noted that band structures of transverse electric(TE) and transverse magnetic(TM) mode waves are exactly the same in the PCs we studied.

  11. Grain size dependent optical band gap of CdI2 films

    Indian Academy of Sciences (India)

    Pankaj Tyagi; A G Vedeshwar

    2001-06-01

    The thermally evaporated stoichiometric CdI2 films show good -axis alignment normal to substrate plane for film thickness up to 200 nm. The optical absorption data indicate an allowed direct interband transition across a gap of 3.6 eV in confirmation with earlier band structure calculations. However, part of the absorption data near band edge can be fitted to an indirect band gap of 3 eV. The dependence of band gap on film thickness (> 200 nm) can be explained qualitatively in terms of decreasing grain boundary barrier height with grain size.

  12. Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide

    Energy Technology Data Exchange (ETDEWEB)

    Lebens-Higgins, Z.; Scanlon, D. O.; Paik, H.; Sallis, S.; Nie, Y.; Uchida, M.; Quackenbush, N. F.; Wahila, M. J.; Sterbinsky, G. E.; Arena, Dario A.; Woicik, J. C.; Schlom, D. G.; Piper, L. F. J.

    2016-01-01

    We have directly measured the band gap renormalization associated with the Moss-Burstein shift in the perovskite transparent conducting oxide (TCO), La-doped BaSnO 3 , using hard x-ray photoelectron spectroscopy. We determine that the band gap renormalization is almost entirely associated with the evolution of the conduction band. Our experimental results are supported by hybrid density functional theory supercell calculations. We determine that unlike conventional TCOs where interactions with the dopant orbitals are important, the band gap renormalization in La - BaSnO 3 is driven purely by electrostatic interactions.

  13. Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide.

    Science.gov (United States)

    Lebens-Higgins, Z; Scanlon, D O; Paik, H; Sallis, S; Nie, Y; Uchida, M; Quackenbush, N F; Wahila, M J; Sterbinsky, G E; Arena, Dario A; Woicik, J C; Schlom, D G; Piper, L F J

    2016-01-15

    We have directly measured the band gap renormalization associated with the Moss-Burstein shift in the perovskite transparent conducting oxide (TCO), La-doped BaSnO_{3}, using hard x-ray photoelectron spectroscopy. We determine that the band gap renormalization is almost entirely associated with the evolution of the conduction band. Our experimental results are supported by hybrid density functional theory supercell calculations. We determine that unlike conventional TCOs where interactions with the dopant orbitals are important, the band gap renormalization in La-BaSnO_{3} is driven purely by electrostatic interactions.

  14. Compositional dependence of the band gap in Ga(NAsP) quantum well heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Jandieri, K., E-mail: kakhaber.jandieri@physik.uni-marburg.de; Ludewig, P.; Wegele, T.; Beyer, A.; Kunert, B.; Springer, P.; Baranovskii, S. D.; Koch, S. W.; Volz, K.; Stolz, W. [Materials Science Center and Faculty of Physics, Philipps-University Marburg, Marburg (Germany)

    2015-08-14

    We present experimental and theoretical studies of the composition dependence of the direct band gap energy in Ga(NAsP)/GaP quantum well heterostructures grown on either (001) GaP- or Si-substrates. The theoretical description takes into account the band anti-crossing model for the conduction band as well as the modification of the valence subband structure due to the strain resulting from the pseudomorphic epitaxial growth on the respective substrate. The composition dependence of the direct band gap of Ga(NAsP) is obtained for a wide range of nitrogen and phosphorus contents relevant for laser applications on Si-substrate.

  15. 基于低压高精度运放的带隙基准电压源设计%Design of Band-Gap Voltage Reference Based on Low Voltage and High Precision Operational Amplifier

    Institute of Scientific and Technical Information of China (English)

    黄静; 唐路; 陈庆; 施敏

    2012-01-01

    基于传统带隙基准源的电路结构,采用电平移位的折叠共源共栅输入级和甲乙类互补推挽共源输出级改进了其运算放大器的性能,并结合一阶温度补偿、电流负反馈技术设计了一款低温度系数、高电源电压抑制比(PSRR)的低压基准电压源.利用华润上华公司的CSMC 0.35 μm标准CMOS工艺对电路进行了Hspice仿真,该带隙基准源电路的电源工作范围为1.5~2.3 V,输出基准电压为(600±0.2) mV;工作温度为10 ~130 ℃,输出电压仅变化8μV,温度系数为1.86×10-6/℃,低频时PSRR为- 72 dB.实际流片进行测试,结果表明达到了预期结果.%A low voltage band-gap voltage reference with good temperature characteristics and high power supply rejection ratio ( PSRR) was designed by temperature compensation, current negative feedback and high performance operational amplifier technology. The improved operational amplifier, the core circuit of the voltage reference, was constituted with a folded-cascade input and a common-source output gain stage. This band-gap voltage reference was simulated by Hspice software with CSMC 0. 35 (xm CMOS process technology model. The results show that the output voltage of voltage reference is (600 ±0. 2) mV with the power operating from 1.5 V to 2. 3 V. The temperature coefficient is 1. 86 × 10-6/℃ with the temperature range from 10 ℃ to 130 ℃ and the output voltage only change is 8 μV. And the PSRR is -72 dB at low frequency. Test results are very consistent with the expected results.

  16. Efficient and stable near infrared emitters using band gap engineered quantum dots for biomedical applications

    Science.gov (United States)

    Blackman, Bridgette Renee

    Synthetic chemistry of colloidal semiconductor nanocrystals has been a major area for materials chemistry and this field has advanced dramatically. Emphasis in terms of materials development has gradually shifted from simple composition with regular dot-shape to complex composition/morphologies. One of the present frontiers is "band gap engineering in solution". Band gap engineering refers to the control of the behavior of the photo-generated carriers, both electrons and holes, by means of epitaxial growth of various semiconductors with different band structures, often referred to as complex heterostructures. Potential uses for these complex heterostructures exist as emitters for biomedical labeling, quantum dot (QD)-based lasers, light emitting diodes (LEDs), electroluminescent devices, and solar cells. To date, band gap engineering in solution is much less developed. This direction is expected to yield nanocrystals with properties otherwise not available from the corresponding individual materials. By using what is known about monomer activities, ligand effects, noncoordinating solvents, and SILAR growth methods, it is now possible to controllably synthesize high quality complex semiconductor nanocrystals. In this research, we modified a solution-based epitaxial growth method to synthesize nanomaterials with unusual type II band offsets. More specifically, novel SILAR synthesis of CdSe/CdTe type II core/shell, CdS/CdSe/CdTe type II quantum well, and water soluble CdSe/CdTe/ZnSe nanocrystals are described. In all systems, a new concept of "thermal cycling" of the reaction temperature was incorporated to control the size and size/shape distribution of the nanocrystals. In addition, a controlled etching methodology was developed for use as an analytical tool to determine information about the surface chemistry and structure. Details on the syntheses, optical properties, and stability, of these complex materials will be described.

  17. Observation of variable hybridized-band gaps in Eu-intercalated graphene.

    Science.gov (United States)

    Sung, Sijin; Kim, Sooran; Lee, Paengro; Kim, Jingul; Ryu, Mintae; Park, Heemin; Kim, Kyoo; Min, Byung Il; Chung, Jinwook

    2017-05-19

    We report europium (Eu)-induced changes in the π-band of graphene (G) formed on the 6H-SiC(0001) surface by a combined study of photoemission measurements and density functional theory (DFT) calculations. Our photoemission data reveal that Eu intercalates upon annealing at 120 °C into the region between the graphene and the buffer layer (BL) to form a G/Eu/BL system, where a band gap of 0.29 eV opens at room temperature. This band gap is found to increase further to 0.48 eV upon cooling down to 60 K. Our DFT calculations suggest that the increased band gap originates from the enhanced hybridization of the graphene π-band with the Eu 4f band due to the increased magnetic ordering upon cooling. These Eu atoms continue to intercalate further down below the BL to produce bilayer graphene (G/BL/Eu) upon annealing at 300 °C. The π-band stemming from the BL then exhibits another band gap of 0.37 eV, which appears to be due to the strong hybridization between the π-band of the BL and the Eu 4f band. The Eu-intercalated graphene thus illustrates an example of versatile band gaps formed under different thermal treatments, which may play a critical role for future applications in graphene-based electronics.

  18. Reflectivity calculated for a 3D silicon photonic band gap crystal with finite support

    CERN Document Server

    Devashish, D; van der Vegt, J J W; Vos, Willem L

    2016-01-01

    We study numerically the reflectivity of three-dimensional (3D) photonic crystals with a complete 3D photonic band gap, with the aim to interpret recent experiments. We employ the finite element method to study crystals with the cubic diamond-like inverse woodpile structure. The high-index backbone has a dielectric function similar to silicon. We study crystals with a range of thicknesses up to ten unit cells ($L \\leq 10 c$). The crystals are surrounded by vacuum, and have a finite support as in experiments. The polarization-resolved reflectivity spectra reveal Fabry-P{\\'e}rot fringes related to standing waves in the finite crystal, as well as broad stop bands with nearly $100~\\%$ reflectivity, even for thin crystals. From the strong reflectivity peaks, it is inferred that the maximum reflectivity observed in experiments is not limited by finite size. The frequency ranges of the stop bands are in excellent agreement with stop gaps in the photonic band structure, that pertain to infinite and perfect crystals. ...

  19. A generation/recombination model assisted with two trap centers in wide band-gap semiconductors

    Science.gov (United States)

    Yamaguchi, Ken; Kuwabara, Takuhito; Uda, Tsuyoshi

    2013-03-01

    A generation/recombination (GR) model assisted with two trap centers has been proposed for studying reverse current on pn junctions in wide band-gap semiconductors. A level (Et1) has been assumed to be located near the bottom of the conduction band and the other (Et2) to be near the top of the valence band. The GR model has been developed by assuming (1) a high-electric field; F, (2) a short distance; d, between trap centers, (3) reduction in an energy-difference; Δeff = |Et1 - Et2| - eFd, and (4) hopping or tunneling conductions between trap centers with the same energy-level (Δeff ≈ 0). The GR rate has been modeled by trap levels, capture cross-sections, trap densities, and transition rate between trap centers. The GR rate, about 1010 greater than that estimated from the single-level model, has been predicted on pn junctions in a material with band-gap of 3.1 eV. Device simulations using the proposed GR model have been demonstrated for SiC diodes with and without a guard ring. A reasonable range for reverse current at room temperature has been simulated and stable convergence has been obtained in a numerical scheme for analyzing diodes with an electrically floating region.

  20. Local strain-induced band gap fluctuations and exciton localization in aged WS2 monolayers

    Science.gov (United States)

    Krustok, J.; Kaupmees, R.; Jaaniso, R.; Kiisk, V.; Sildos, I.; Li, B.; Gong, Y.

    2017-06-01

    Optical properties of aged WS2 monolayers grown by CVD method on Si/SiO2 substrates are studied using temperature dependent photoluminescence and reflectance contrast spectroscopy. Aged WS2 monolayers have a typical surface roughness about 0.5 nm and, in addition, a high density of nanoparticles (nanocaps) with the base diameter about 30 nm and average height of 7 nm. The A-exciton of aged monolayer has a peak position at 1.951 eV while in as-grown monolayer the peak is at about 24 meV higher energy at room temperature. This red-shift is explained using local tensile strain concept, where strain value of 2.1% was calculated for these nanocap regions. Strained nanocaps have lower band gap energy and excitons will funnel into these regions. At T=10K a double exciton and trion peaks were revealed. The separation between double peaks is about 20 meV and the origin of higher energy peaks is related to the optical band gap energy fluctuations caused by random distribution of local tensile strain due to increased surface roughness. In addition, a wide defect related exciton band XD was found at about 1.93 eV in all aged monolayers. It is shown that the theory of localized excitons describes well the temperature dependence of peak position and halfwidth of the A-exciton band. The possible origin of nanocaps is also discussed.

  1. Band Gap Narrowing and Widening of ZnO Nanostructures and Doped Materials.

    Science.gov (United States)

    Kamarulzaman, Norlida; Kasim, Muhd Firdaus; Rusdi, Roshidah

    2015-12-01

    Band gap change in doped ZnO is an observed phenomenon that is very interesting from the fundamental point of view. This work is focused on the preparation of pure and single phase nanostructured ZnO and Cu as well as Mn-doped ZnO for the purpose of understanding the mechanisms of band gap narrowing in the materials. ZnO, Zn0.99Cu0.01O and Zn0.99Mn0.01O materials were prepared using a wet chemistry method, and X-ray diffraction (XRD) results showed that all samples were pure and single phase. UV-visible spectroscopy showed that materials in the nanostructured state exhibit band gap widening with respect to their micron state while for the doped compounds exhibited band gap narrowing both in the nano and micron states with respect to the pure ZnO materials. The degree of band gap change was dependent on the doped elements and crystallite size. X-ray photoelectron spectroscopy (XPS) revealed that there were shifts in the valence bands. From both UV-visible and XPS spectroscopy, it was found that the mechanism for band gap narrowing was due to the shifting of the valance band maximum and conduction band minimum of the materials. The mechanisms were different for different samples depending on the type of dopant and dimensional length scales of the crystallites.

  2. Band gap opening in strongly compressed diamond observed by x-ray energy loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gamboa, E. J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Fletcher, L. B. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Lee, H. J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); MacDonald, M. J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Univ. of Michigan, Ann Arbor, MI (United States); Zastrau, U. [High-Energy Density Science Group, Hamburg (Germany); Gauthier, M. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Gericke, D. O. [Univ. of Warwick (United Kingdom); Vorberger, J. [Helmholtz Association of German Research Centres, Dresden (Germany); Granados, E. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Hastings, J. B. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Glenzer, S. H. [SLAC National Accelerator Lab., Menlo Park, CA (United States)

    2016-01-25

    The extraordinary mechanical and optical properties of diamond are the basis of numerous technical applications and make diamond anvil cells a premier device to explore the high-pressure behavior of materials. However, at applied pressures above a few hundred GPa, optical probing through the anvils becomes difficult because of the pressure-induced changes of the transmission and the excitation of a strong optical emission. Such features have been interpreted as the onset of a closure of the optical gap in diamond, and can significantly impair spectroscopy of the material inside the cell. In contrast, a comparable widening has been predicted for purely hydrostatic compressions, forming a basis for the presumed pressure stiffening of diamond and resilience to the eventual phase change to BC8. We here present the first experimental evidence of this effect at geo-planetary pressures, exceeding the highest ever reported hydrostatic compression of diamond by more than 200 GPa and any other measurement of the band gap by more than 350 GPa. We here apply laser driven-ablation to create a dynamic, high pressure state in a thin, synthetic diamond foil together with frequency-resolved x-ray scattering as a probe. The frequency shift of the inelastically scattered x-rays encodes the optical properties and, thus, the behavior of the band gap in the sample. Using the ultra-bright x-ray beam from the Linac Coherent Light Source (LCLS), we observe an increasing direct band gap in diamond up to a pressure of 370 GPa. This finding points to the enormous strains in the anvils and the impurities in natural Type Ia diamonds as the source of the observed closure of the optical window. Our results demonstrate that diamond remains an insulating solid to pressures approaching its limit strength.

  3. Increased visible-light photocatalytic activity of TiO2 via band gap manipulation

    Science.gov (United States)

    Pennington, Ashley Marie

    Hydrogen gas is a clean burning fuel that has potential applications in stationary and mobile power generation and energy storage, but is commercially produced from non-renewable fossil natural gas. Using renewable biomass as the hydrocarbon feed instead could provide sustainable and carbon-neutral hydrogen. We focus on photocatalytic oxidation and reforming of methanol over modified titanium dioxide (TiO2) nanoparticles to produce hydrogen gas. Methanol is used as a model for biomass sugars. By using a photocatalyst, we aim to circumvent the high energy cost of carrying out endothermic reactions at commercial scale. TiO2 is a semiconductor metal oxide of particular interest in photocatalysis due to its photoactivity under ultraviolet illumination and its stability under catalytic reaction conditions. However, TiO2 primarily absorbs ultraviolet light, with little absorption of visible light. While an effective band gap for absorbance of photons from visible light is 1.7 eV, TiO2 polymorphs rutile and anatase, have band gaps of 3.03 eV and 3.20 eV respectively, which indicate ultraviolet light. As most of incident solar radiation is visible light, we hypothesize that decreasing the band gap of TiO2 will increase the efficiency of TiO2 as a visible-light active photocatalyst. We propose to modify the band gap of TiO2 by manipulating the catalyst structure and composition via metal nanoparticle deposition and heteroatom doping in order to more efficiently utilize solar radiation. Of the metal-modified Degussa P25 TiO2 samples (P25), the copper and nickel modified samples, 1%Cu/P25 and 1%Ni/P25 yielded the lowest band gap of 3.05 eV each. A difference of 0.22 eV from the unmodified P25. Under visible light illumination 1%Ni/P25 and 1%Pt/P25 had the highest conversion of methanol of 9.9% and 9.6%, respectively.

  4. Band gap bowing and electron localization of (GaxIn1-x)N

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Byounghak; Wang, Lin-Wang

    2006-05-09

    The band gap bowing and the electron localization ofGaxIn1-xN are calculated using both the local density approximation (LDA)and screened-exchange local density functional (sX-LDA) methods. Thecalculated sX-LDA band gaps are in good agreement with the experimentallyobserved values, with errors of -0.26 and 0.09 eV for bulk GaN and InN,respectively. The LDA band gap errors are 1.33 and 0.81 eV for GaN andInN, in order. In contrast to the gap itself, the band gap bowingparameter is found to be very similar in sX-LDA and LDA. We identify thelocalization of hole states in GaxIn1-xN alloys along In-N-In chains. Thepredicted localizationis stronger in sX-LDA.

  5. Reversible tuning of ZnO optical band gap by plasma treatment

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Szetsen, E-mail: slee@cycu.edu.tw [Department of Chemistry and Center for Nano-technology, Chung Yuan Christian University, Jhongli, Taoyuan 32023, Taiwan (China); Peng, Jr-Wei [Department of Chemistry and Center for Nano-technology, Chung Yuan Christian University, Jhongli, Taoyuan 32023, Taiwan (China); Ho, Ching-Yuan [Department of Mechanical Engineering, Chung Yuan Christian University, Jhongli, Taoyuan 32023, Taiwan (China)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer The ZnO optical band gap blue-shifts with hydrogen plasma treatment. Black-Right-Pointing-Pointer The ZnO optical band gap red-shifts with oxygen plasma treatment. Black-Right-Pointing-Pointer The ZnO optical band gap can be reversibly fine-tuned. - Abstract: Zinc oxide (ZnO) films synthesized by reacting zinc nitrate with hexamethylenetetramine were treated with hydrogen and oxygen plasmas. From UV-visible absorption and optical emission inspection, we have found that the optical band gap of ZnO films blue-shifted with hydrogen plasma treatment, but red-shifted with oxygen plasma treatment. By alternating the treatment sequence of hydrogen and oxygen plasmas, the ZnO optical band gap can be reversibly fine-tuned with the tunable range up to 80 meV. Scanning electron microscopy characterization indicates that the variation of the optical band gap is attributed to the competition between amorphous and crystalline forms of ZnO. The mechanism of reversible optical band gap tuning is discussed.

  6. Photonic band-gap formation by optical-phase-mask lithography.

    Science.gov (United States)

    Chan, Timothy Y M; Toader, Ovidiu; John, Sajeev

    2006-04-01

    We demonstrate an approach for fabricating photonic crystals with large three-dimensional photonic band gaps (PBG's) using single-exposure, single-beam, optical interference lithography based on diffraction of light through an optical phase mask. The optical phase mask (OPM) consists of two orthogonally oriented binary gratings joined by a thin, solid layer of homogeneous material. Illuminating the phase mask with a normally incident beam produces a five-beam diffraction pattern which can be used to expose a suitable photoresist and produce a photonic crystal template. Optical-phase-mask Lithography (OPML) is a major simplification from the previously considered multibeam holographic lithography of photonic crystals. The diffracted five-beam intensity pattern exhibits isointensity surfaces corresponding to a diamondlike (face-centered-cubic) structure, with high intensity contrast. When the isointensity surfaces in the interference patterns define a silicon-air boundary in the resulting photonic crystal, with dielectric contrast 11.9 to 1, the optimized PBG is approximately 24% of the gap center frequency. The ideal index contrast for the OPM is in the range of 1.7-2.3. Below this range, the intensity contrast of the diffraction pattern becomes too weak. Above this range, the diffraction pattern may become too sensitive to structural imperfections of the OPM. When combined with recently demonstrated polymer-to-silicon replication methods, OPML provides a highly efficient approach, of unprecedented simplicity, for the mass production of large-scale three-dimensional photonic band-gap materials.

  7. Carrier concentration dependence of band gap shift in n-type ZnO:Al films

    Science.gov (United States)

    Lu, J. G.; Fujita, S.; Kawaharamura, T.; Nishinaka, H.; Kamada, Y.; Ohshima, T.; Ye, Z. Z.; Zeng, Y. J.; Zhang, Y. Z.; Zhu, L. P.; He, H. P.; Zhao, B. H.

    2007-04-01

    Al-doped ZnO (AZO) thin films have been prepared by mist chemical vapor deposition and magnetron sputtering. The band gap shift as a function of carrier concentration in n-type zinc oxide (ZnO) was systematically studied considering the available theoretical models. The shift in energy gap, evaluated from optical absorption spectra, did not depend on sample preparations; it was mainly related to the carrier concentrations and so intrinsic to AZO. The optical gap increased with the electron concentration approximately as ne2/3 for ne≤4.2×1019 cm-3, which could be fully interpreted by a modified Burstein-Moss (BM) shift with the nonparabolicity of the conduction band. A sudden decrease in energy gap occurred at 5.4-8.4×1019 cm-3, consistent with the Mott criterion for a semiconductor-metal transition. Above the critical values, the band gap increased again at a different rate, which was presumably due to the competing BM band-filling and band gap renormalization effects, the former inducing a band gap widening and the latter an offsetting narrowing. The band gap narrowing (ΔEBGN) derived from the band gap renormalization effect did not show a good ne1/3 dependence predicated by a weakly interacting electron-gas model, but it was in excellent agreement with a perturbation theory considering different many-body effects. Based on this theory a simple expression, ΔEBGN=Ane1/3+Bne1/4+Cne1/2, was deduced for n-type ZnO, as well as p-type ZnO, with detailed values of A, B, and C coefficients. An empirical relation once proposed for heavily doped Si could also be used to describe well this gap narrowing in AZO.

  8. Observation of band gaps in the gigahertz range and deaf bands in a hypersonic aluminum nitride phononic crystal slab

    Science.gov (United States)

    Gorisse, M.; Benchabane, S.; Teissier, G.; Billard, C.; Reinhardt, A.; Laude, V.; Defaÿ, E.; Aïd, M.

    2011-06-01

    We report on the observation of elastic waves propagating in a two-dimensional phononic crystal composed of air holes drilled in an aluminum nitride membrane. The theoretical band structure indicates the existence of an acoustic band gap centered around 800 MHz with a relative bandwidth of 6.5% that is confirmed by gigahertz optical images of the surface displacement. Further electrical measurements and computation of the transmission reveal a much wider attenuation band that is explained by the deaf character of certain bands resulting from the orthogonality of their polarization with that of the source.

  9. Compositional dependence of optical band gap and refractive index in lead and bismuth borate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Mallur, Saisudha B.; Czarnecki, Tyler; Adhikari, Ashish; Babu, Panakkattu K.

    2015-08-15

    Highlights: • Refractive indices increase with increasing PbO/Bi{sub 2}O{sub 3} content. • Optical band gap arises due to direct forbidden transition. • Optical band gaps decrease with increasing PbO/Bi{sub 2}O{sub 3} content. • New empirical relation between the optical band gap and the refractive index. - Abstract: We prepared a series of lead and bismuth borate glasses by varying PbO/Bi{sub 2}O{sub 3} content and studied refractive index and optical band gap as a function of glass composition. Refractive indices were measured very accurately using a Brewster’s angle set up while the optical band gaps were determined by analyzing the optical absorption edge using the Mott–Davis model. Using the Lorentz–Lorentz method and the effective medium theory, we calculated the refractive indices and then compared them with the measured values. Bismuth borate glasses show better agreement between the calculated values of the refractive index and experimental values. We used a differential method based on Mott–Davis model to obtain the type of transition and optical band gap (E{sub opt}) which in turn was compared with the value of E{sub opt} obtained using the extinction coefficient. Our analysis shows that in both lead and bismuth borate glasses, the optical band gap arises due to direct forbidden transition. With increasing PbO/Bi{sub 2}O{sub 3} content, the absorption edge shifts toward longer wavelengths and the optical band gap decreases. This behavior can be explained in terms of changes to the Pb−O/Bi−O chemical bonds with glass composition. We obtained a new empirical relation between the optical band gap and the refractive index which can be used to accurately determine the electronic oxide polarizability in lead and bismuth oxide glasses.

  10. Optimization of band gaps of 2D photonic crystals by the rapid generic algorithm

    Institute of Scientific and Technical Information of China (English)

    SUN Yun-tao

    2011-01-01

    @@ Based on the rapid genetic algorithm (RGA), the band gap structures of square lattices with square scatters are optimized.In the optimizing process, gene codes are used to express square scatters and the fitting function adopts the relative values of the largest absolute photonic band gaps (PBGs).By changing the value of filling factor, three cell forms with large photonic band gaps are obtained.In addition, the comparison between the rapid genetic algorithm and the general genetic algorithm (GGA) is analyzed.

  11. Monolithic phononic crystals with a surface acoustic band gap from surface phonon-polariton coupling.

    Science.gov (United States)

    Yudistira, D; Boes, A; Djafari-Rouhani, B; Pennec, Y; Yeo, L Y; Mitchell, A; Friend, J R

    2014-11-21

    We theoretically and experimentally demonstrate the existence of complete surface acoustic wave band gaps in surface phonon-polariton phononic crystals, in a completely monolithic structure formed from a two-dimensional honeycomb array of hexagonal shape domain-inverted inclusions in single crystal piezoelectric Z-cut lithium niobate. The band gaps appear at a frequency of about twice the Bragg band gap at the center of the Brillouin zone, formed through phonon-polariton coupling. The structure is mechanically, electromagnetically, and topographically homogeneous, without any physical alteration of the surface, offering an ideal platform for many acoustic wave applications for photonics, phononics, and microfluidics.

  12. Engineering the electronic structure and band gap of boron nitride nanoribbon via external electric field

    Science.gov (United States)

    Chegel, Raad

    2016-06-01

    By using the third nearest neighbor modified tight binding (3NN-TB) method, the electronic structure and band gap of BNNRs under transverse electric fields are explored. The band gap of the BNNRs has a decreasing with increasing the intensity of the applied electric field, independent on the ribbon edge types. Furthermore, an analytic model for the dependence of the band gap in armchair and zigzag BNNRs on the electric field is proposed. The reduction of E g is similar for some N a armchair and N z zigzag BNNRs independent of their edges.

  13. Modelling and design of complete photonic band gaps in two-dimensional photonic crystals

    Indian Academy of Sciences (India)

    Yogita Kalra; R K Sinha

    2008-01-01

    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 and the other comprising of rectangular rods in honeycomb lattices are considered with a view to estimate the design parameters for maximizing the complete photonic band gap. Further, it has been shown that complete photonic band gap size changes with the variation in the orientation angle of the constituent dielectric rods.

  14. Band-gap narrowing in heavily doped silicon at 20 and 300 K studied by photoluminescence

    Science.gov (United States)

    Wagner, Joachim

    1985-07-01

    The band-gap shrinkage in heavily doped n- and p-type silicon is studied by photoluminescence both at low temperatures (20 K) and at room temperature (300 K). A line-shape analysis was performed to determine the indirect band-gap energy from the emission spectra. Within the experimental accuracy the same band-gap shift is observed at room temperature as at low temperature. The present results are compared with experimental data from other optical studies and with theoretical calculations.

  15. Large Frequency Range of Photonic Band Gaps on Porous Silicon Heterostructures for Infrared Applications

    CERN Document Server

    Manzanares-Martinez, J; Archuleta-Garcia, R; Moctezuma-Enriquez, D

    2010-01-01

    In this work we show theoretically that it is possible to design a large band gap in the infrared range using a one-dimensional Photonic Crystal heterostructure made of porous silicon. Stacking together multiple photonic crystal substructures of the same contrast index, but of different lattice periods, it is possible to broad the narrow forbidden band gap that can be reached by the low contrast index of the porous silicon multilayers. The main idea in this work is that we can construct a Giant Photonic Band Gap -as large as desired- by combining a tandem of photonic crystals substructures by using a simple analytical rule to determine the period of each substructure.

  16. Study of periodic band gap structure of the magnetized plasma photonic crystals

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hai-feng; MA Li; LIU Shao-bin

    2009-01-01

    The characteristics of the periodic band gaps of the one dimension magnetized plasma photonic crystals are studied with the piecewise linear current density recursive convolution (PLCDRC) finite-differential time-domain (FDTD) method. In fre-quency-domain, the transmission coefficients of electromagnetic Gaussian pulses are computed, and the effects of the periodic structure constant, plasma layer thickness and parameters of plasma on the properties of periodic band gaps of magnetized photonic crystals are analyzed. The results show that the periodic band gaps depend strongly on the plasma parameters.

  17. Band gaps and cavity modes in dual phononic and photonic strip waveguides

    Directory of Open Access Journals (Sweden)

    Y. Pennec

    2011-12-01

    Full Text Available We discuss theoretically the simultaneous existence of phoxonic, i.e., dual phononic and photonic, band gaps in a periodic silicon strip waveguide. The unit-cell of this one-dimensional waveguide contains a hole in the middle and two symmetric stubs on the sides. Indeed, stubs and holes are respectively favorable for creating a phononic and a photonic band gap. Appropriate geometrical parameters allow us to obtain a complete phononic gap together with a photonic gap of a given polarization and symmetry. The insertion of a cavity inside the perfect structure provides simultaneous confinement of acoustic and optical waves suitable to enhance the phonon-photon interaction.

  18. Flexural vibration band gaps in thin plates with two-dimensional binary locally resonant structures

    Institute of Scientific and Technical Information of China (English)

    Yu Dian-Long; Wang Gang; Liu Yao-Zong; Wen Ji-Hong; Qiu Jing

    2006-01-01

    The complete flexural vibration band gaps are studied in the thin plates with two-dimensional binary locally resonant structures, i.e. the composite plate consisting of soft rubber cylindrical inclusions periodically placed in a host material. Numerical simulations show that the low-frequency gaps of flexural wave exist in the thin plates. The width of the first gap decreases monotonically as the matrix density increases. The frequency response of the finite periodic thin plates is simulated by the finite element method, which provides attenuations of over 20dB in the frequency range of the band gaps. The findings will be significant in the application of phononic crystals.

  19. Band Gap Opening Induced by the Structural Periodicity in Epitaxial Graphene Buffer Layer.

    Science.gov (United States)

    N Nair, Maya; Palacio, Irene; Celis, Arlensiú; Zobelli, Alberto; Gloter, Alexandre; Kubsky, Stefan; Turmaud, Jean-Philippe; Conrad, Matthew; Berger, Claire; de Heer, Walter; Conrad, Edward H; Taleb-Ibrahimi, Amina; Tejeda, Antonio

    2017-04-12

    The epitaxial graphene buffer layer on the Si face of hexagonal SiC shows a promising band gap, of which the precise origin remains to be understood. In this work, we correlate the electronic to the atomic structure of the buffer layer by combining angle resolved photoemission spectroscopy (ARPES), scanning tunneling microscopy (STM), and high-resolution scanning transmission electron microscopy (HR-STEM). We show that the band structure in the buffer has an electronic periodicity related to the structural periodicity observed in STM images and published X-ray diffraction. Our HR-STEM measurements show the bonding of the buffer layer to the SiC at specific locations separated by 1.5 nm. This is consistent with the quasi 6 × 6 periodic corrugation observed in the STM images. The distance between buffer C and SiC is 1.9 Å in the bonded regions and up to 2.8 Å in the decoupled regions, corresponding to a 0.9 Å corrugation of the buffer layer. The decoupled regions are sp(2) hybridized. Density functional tight binding (DFTB) calculations demonstrate the presence of a gap at the Dirac point everywhere in the buffer layer, even in the decoupled regions where the buffer layer has an atomic structure close to that of graphene. The surface periodicity also promotes band in the superperiodic Brillouin zone edges as seen by photoemission and confirmed by our calculations.

  20. Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

    Science.gov (United States)

    Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

    2014-10-22

    We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

  1. Systematic analysis of the unique band gap modulation of mixed halide perovskites.

    Science.gov (United States)

    Kim, Jongseob; Lee, Sung-Hoon; Chung, Choong-Heui; Hong, Ki-Ha

    2016-02-14

    Solar cells based on organic-inorganic hybrid metal halide perovskites have been proven to be one of the most promising candidates for the next generation thin film photovoltaic cells. Mixing Br or Cl into I-based perovskites has been frequently tried to enhance the cell efficiency and stability. One of the advantages of mixed halides is the modulation of band gap by controlling the composition of the incorporated halides. However, the reported band gap transition behavior has not been resolved yet. Here a theoretical model is presented to understand the electronic structure variation of metal mixed-halide perovskites through hybrid density functional theory. Comparative calculations in this work suggest that the band gap correction including spin-orbit interaction is essential to describe the band gap changes of mixed halides. In our model, both the lattice variation and the orbital interactions between metal and halides play key roles to determine band gap changes and band alignments of mixed halides. It is also presented that the band gap of mixed halide thin films can be significantly affected by the distribution of halide composition.

  2. Residual stress dependant anisotropic band gap of various (hkl) oriented BaI2 films

    Science.gov (United States)

    Kumar, Pradeep; Gulia, Vikash; Vedeshwar, Agnikumar G.

    2013-11-01

    The thermally evaporated layer structured BaI2 grows in various completely preferred (hkl) film orientations with different growth parameters like film thickness, deposition rate, substrate temperature, etc. which were characterized by structural, morphological, and optical absorption measurements. Structural analysis reveals the strain in the films and the optical absorption shows a direct type band gap. The varying band gaps of these films were found to scale linearly with their strain. The elastic moduli and other constants were also calculated using Density Functional Theory (DFT) formalism implemented in WIEN2K code for converting the strain into residual stress. Films of different six (hkl) orientations show stress free anisotropic band gaps (2.48-3.43 eV) and both positive and negative pressure coefficients. The negative and positive pressure coefficients of band gap are attributed to the strain in I-I (or Ba-Ba or both) and Ba-I distances along [hkl], respectively. The calculated band gaps are also compared with those experimentally determined. The average pressure coefficient of band gap of all six orientations (-0.071 eV/GPa) found to be significantly higher than that calculated (-0.047 eV/GPa) by volumetric pressure dependence. Various these issues have been discussed with consistent arguments. The electron effective mass me*=0.66m0 and the hole effective mass mh*=0.53m0 have been determined from the calculated band structure.

  3. Continuous generation of Rubidium vapor in hollow-core photonic band-gap fibers

    CERN Document Server

    Donvalkar, Prathamesh S; Clemmen, Stephane; Gaeta, Alexander L

    2015-01-01

    We demonstrate high optical depths (50+/-5), lasting for hours in Rubidium-filled hollow-core photonic band-gap fibers, which represents a 1000X improvement over operation times previously reported. We investigate the vapor generation mechanism using both a continuous-wave and a pulsed light source and find that the mechanism for generating the Rubidium atoms is primarily due to thermal vaporization. Continuous generation of large vapor densities should enable measurements at the single-photon level by averaging over longer time scales.

  4. Self-imaging effect in photonic crystal multimode waveguides exhibiting no band gaps

    Institute of Scientific and Technical Information of China (English)

    Tianbao Yu; Xiaoqing Jiang; Qinghua Liao; Wei Qi; Jianyi Yang; Minghua Wang

    2007-01-01

    The properties of the propagating field in multimode photonic crystal waveguides (PCWs) exhibiting no photonic band gaps (PBGs) are investigated. The transmission spectrum shows that the input field can be guided with high efficiency, and resemble index-guided modes owing to the combination of total internal reflection (TIR) and distributed Bragg reflection (DBR). Self-imaging effect happens and the filling fraction determines the beating lengths. The rows of air holes decide DBR coming from the mirrors on both sides of the guiding region, which governs the transmission spectrum. It provides a new way to realize the components for both polarizations by combining PBG and TIR effects in PCWs.

  5. 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.

  6. 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

    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...

  7. Accurate evaluation of lowest band gaps in ternary locally resonant phononic crystals

    Institute of Scientific and Technical Information of China (English)

    Wang Gang; Shao Li-Hui; Liu Yao-Zong; Wen Ji-Hong

    2006-01-01

    Based on a better understanding of the lattice vibration modes, two simple spring-mass models are constructed in order to evaluate the frequencies on both the lower and upper edges of the lowest locally resonant band gaps of the ternary locally resonant phononic crystals. The parameters of the models are given in a reasonable way based on the physical insight into the band gap mechanism. Both the lumped-mass methods and our models are used in the study of the influences of structural and the material parameters on frequencies on both edges of the lowest gaps in the ternary locally resonant phononic crystals. The analytical evaluations with our models and the theoretical predictions with the lumped-mass method are in good agreement with each other. The newly proposed heuristic models are helpful for a better understanding of the locally resonant band gap mechanism, as well as more accurate evaluation of the band edge frequencies.

  8. Tunable Photonic Band Gaps In Photonic Crystal Fibers Filled With a Cholesteric Liquid Crystal

    Institute of Scientific and Technical Information of China (English)

    Thomas; Tanggaard; Larsen; David; Sparre; Hermann; Anders; Bjarklev

    2003-01-01

    A photonic crystal fiber has been filled with a cholesteric liquid crystal. A temperature sensitive photonic band gap effect was observed, which was especially pronounced around the liquid crystal phase transition temperature.

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

    KAUST Repository

    Mondal, Rajib

    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.

  10. Study on the vibration band gap and vibration attenuation property of phononic crystals

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Phononic crystals (PCs) are functional materials with periodic structures and elas- tic wave (vibration) band gaps, where propagation of vibrations with frequencies within band gaps is forbidden. PCs with finite periods can restrain the propagation of vibrations with frequencies in band gaps and thus has vibration attenuation property. Worldwide, many institutions and researchers are engaged in the re- search of PCs, however, studies on the vibration attenuation property of PCs are still limited. In this paper, we report our study of band gaps and vibration attenua- tion properties of 1) a simplified PC—periodic mass-spring structures, 2) longitu- dinal vibration of one-dimensional (1D-), 2D-, 3D-PCs, and 3) the flexural vibration of 1D- and 2D-PCs. These studies provide a foundation for the applications of PCs in vibration attenuation.

  11. Study on the vibration band gap and vibration attenuation property of phononic crystals

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Phononic crystals (PCs) are functional materials with periodic structures and elastic wave (vibration) band gaps, where propagation of vibrations with frequencies within band gaps is forbidden. PCs with finite periods can restrain the propagation of vibrations with frequencies in band gaps and thus has vibration attenuation property. Worldwide, many institutions and researchers are engaged in the research of PCs, however, studies on the vibration attenuation property of PCs are still limited. In this paper, we report our study of band gaps and vibration attenuation properties of 1) a simplified PC-periodic mass-spring structures, 2) longitudinal vibration of one-dimensional (1D-), 2D-, 3D-PCs, and 3) the flexural vibration of 1D- and 2D-PCs. These studies provide a foundation for the applications of PCs in vibration attenuation.

  12. 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.

  13. Calculation of effective band gap narrowing in heavily-doped and compensated silicon

    Science.gov (United States)

    Polsky, B. S.; Rimshans, J. S.

    1991-06-01

    The effective band gap narrowing in heavily-doped and compensated silicon for different values of impurity concentration is calculated within the semiclassical approximation. The calculated and known measured data are compared.

  14. Vibration band-gap properties of three-dimensional Kagome lattices using the spectral element method

    Science.gov (United States)

    Wu, Zhi-Jing; Li, Feng-Ming; Zhang, Chuanzeng

    2015-04-01

    The spectral element method (SEM) is extended to investigate the vibration band-gap properties of three-dimensional (3D) Kagome lattices. The dynamic stiffness matrix of the 3D element which contains bending, tensional and torsional components is derived. The spectral equations of motion of the whole 3D Kagome lattice are then established. Comparing with frequency-domain solutions calculated by the finite element method (FEM), the accuracy and the feasibility of the SEM solutions are verified. It can be shown that the SEM is suitable for analyzing the vibration band-gap properties. Due to the band-gap characteristics, the periodic 3D Kagome lattice has the performance of vibration isolation. The influences of the structural and material parameters on the vibration band-gaps are discussed and a new type of 3D Kagome lattice is designed to obtain the improved vibration isolation capability.

  15. Design and Additive Manufacturing of 3D Phononic Band Gap Structures Based on Gradient Based Optimization

    Directory of Open Access Journals (Sweden)

    Maximilian Wormser

    2017-09-01

    Full Text Available We present a novel approach for gradient based maximization of phononic band gaps. The approach is a geometry projection method combining parametric shape optimization with density based topology optimization. By this approach, we obtain, in a two dimension setting, cellular structures exhibiting relative and normalized band gaps of more than 8 and 1.6, respectively. The controlling parameter is the minimal strut size, which also corresponds with the obtained stiffness of the structure. The resulting design principle is manually interpreted into a three dimensional structure from which cellular metal samples are fabricated by selective electron beam melting. Frequency response diagrams experimentally verify the numerically determined phononic band gaps of the structures. The resulting structures have band gaps down to the audible frequency range, qualifying the structures for an application in noise isolation.

  16. Shape optimization of phononic band gap structures using the homogenization approach

    CERN Document Server

    Vondřejc, Jaroslav; Heczko, Jan

    2016-01-01

    The paper deals with optimization of the acoustic band gaps computed using the homogenized model of strongly heterogeneous elastic composite which is constituted by soft inclusions periodically distributed in stiff elastic matrix. We employ the homogenized model of such medium to compute intervals - band gaps - of the incident wave frequencies for which acoustic waves cannot propagate. It was demonstrated that the band gaps distribution can be influenced by changing the shape of inclusions. Therefore, we deal with the shape optimization problem to maximize low-frequency band gaps; their bounds are determined by analyzing the effective mass tensor of the homogenized medium. Analytic transformation formulas are derived which describe dispersion effects of resizing the inclusions. The core of the problem lies in sensitivity of the eigenvalue problem associated with the microstructure. Computational sensitivity analysis is developed, which allows for efficient using of the gradient based optimization methods. Num...

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

    Science.gov (United States)

    Nemade, K. R.; Waghuley, S. A.

    2012-05-01

    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.

  18. 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.

  19. Coupled flexural-torsional vibration band gap in periodic beam including warping effect

    Institute of Scientific and Technical Information of China (English)

    Fang Jian-Yu; Yu Dian-Long; Han Xiao-Yun; Cai Li

    2009-01-01

    The propagation of coupled flexural-torsional vibration in the periodic beam including warping effect is investigated with the transfer matrix theory.The band structures of the periodic beam,both including warping effect and ignoring warping effect,are obtained.The frequency response function of the finite periodic beams is simulated with finite element method,which shows large vibration attenuation in the frequency range of the gap as expected.The effect of warping stiffness on the band structure is studied and it is concluded that substantial error can be produced in high frequency range if the effect is ignored.The result including warping effect agrees quite well with the simulated result.

  20. 高电源抑制比、低温飘带隙基准电压源的设计%Design of high PSRR low temperature coefficient band gap voltage reference

    Institute of Scientific and Technical Information of China (English)

    高献坤; 雷君召; 丁赪璐; 周西军; 李遂亮; 余泳昌

    2011-01-01

    Based on the TSMC 0.18μm CMOS process design kit,a band gap voltage reference circuitwith high power supply rejection ratio and low temperature coefficient is presented in this paper,where power supply voltage and output reference voltage is 3 V and 1.25 V respectively. The simulation results for this circuit using Cadence' s Spectre indicate that temperature coefficient from-40 to 125℃ is 3.5 x10-6·℃-1',and the voltage regulation is 72μV·V-1 during the supply voltage linear changed from 2.7 to 3.6 V. The circuit has good PSSR,top point reaching 89 dB,and being 45 dB at 10 kHz.%采用TSMC 0.18 μm CMOS工艺,设计了一种电源电压为3V、基准输出为1.25 V的高电源抑制比、低温度系数的带隙基准电压源电路.Cadence Spectre仿真结果表明,该基准源具有较好的温度特性,在-40~125℃温度范围内,温度系数为3.5×10-6·℃-1;电源电压在2.7~3.6V范围内波动时,电源电压调整率为72 μV·V-1;具有良好的电源电压抑制特性,最高抑制比可达89 dB,在10 kHz处可实现45 dB的电源电压抑制比.

  1. Vacancy Induced Energy Band Gap Changes of Semiconducting Zigzag Single Walled Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    DERELI, G.

    2017-08-01

    Full Text Available In this work, we have examined how the multi-vacancy defects induced in the horizontal direction change the energetics and the electronic structure of semiconducting Single-Walled Carbon Nanotubes (SWCNTs. The electronic structure of SWCNTs is computed for each deformed configuration by means of real space, Order(N Tight Binding Molecular Dynamic (O(N TBMD simulations. Energy band gap is obtained in real space through the behavior of electronic density of states (eDOS near the Fermi level. Vacancies can effectively change the energetics and hence the electronic structure of SWCNTs. In this study, we choose three different kinds of semiconducting zigzag SWCNTs and determine the band gap modifications. We have selected (12,0, (13,0 and (14,0 zigzag SWCNTs according to n (mod 3 = 0, n (mod 3 = 1 and n (mod 3 = 2 classification. (12,0 SWCNT is metallic in its pristine state. The application of vacancies opens the electronic band gap and it goes up to 0.13 eV for a di-vacancy defected tube. On the other hand (13,0 and (14,0 SWCNTs are semiconductors with energy band gap values of 0.44 eV and 0.55 eV in their pristine state, respectively. Their energy band gap values decrease to 0.07 eV and 0.09 eV when mono-vacancy defects are induced in their horizontal directions. Then the di-vacancy defects open the band gap again. So in both cases, the semiconducting-metallic ¬- semiconducting transitions occur. It is also shown that the band gap modification exhibits irreversible characteristics, which means that band gap values of the nanotubes do not reach their pristine values with increasing number of vacancies.

  2. Loss properties of all-solid photonic band gap fibers with an array of rings

    Institute of Scientific and Technical Information of China (English)

    GENG You-fu; LI Xue-jin; TAN Xiao-ling; YAO Jian-quan

    2010-01-01

    @@ The confinement loss and bend loss properties of all-solid photonic band gap fibers with an array of rings doped with highindex material are investigated.The calculated results show that for a specific structure,the confinement loss and the critical bend radius are reduced simultaneously in some band gaps by increasing the inner diameter of ring,which provides a useful guide and a theoretical basis for designing large mode area fibers with low loss.

  3. Variable band-gap semiconductors as the basis of new solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Morales-Acevedo, Arturo [Centro de Investigacion y de Estudios Avanzados del IPN, Electrical Engineering Department, Avenida IPN No. 2508, 07360 Mexico, DF (Mexico)

    2009-09-15

    Some basic concepts related to variable band-gap absorbing semiconductors in solar cell structures, such as the associated quasi-electric field, will be discussed. The effects of this quasi-electric field upon the minority carrier drift-diffusion length and the back surface recombination velocity may induce a larger generated carrier collection at the junction with the corresponding increase of the illumination current density. It will also be shown that an additional improvement of the open-circuit voltage is possible when the band-gap is reduced within the space charge region so that the dark saturation current density is reduced there. Our estimation is that in the case of a solar cell where the band-gap is changed about 0.5 eV within the space charge region, an increase of the open-circuit voltage around 115 mV will be observed with respect to the single minimum band-gap absorbing material case. A similar band-gap variation in the bulk of the material will cause an increase of the minority carrier drift-diffusion length by a factor of 10 with respect to the single band-gap material. Therefore, based on these physical concepts, two possible structures with variable band-gap layers are proposed in order to have higher efficiencies than for cells without any band-gap grading. It will be shown that these concepts can be applied to II-VI, III-V chalcopyrite and even amorphous semiconductor solar cells. (author)

  4. Band-gap narrowing in heavily doped silicon: A comparison of optical and electrical data

    Science.gov (United States)

    Wagner, Joachim; del Alamo, Jesús A.

    1988-01-01

    The band-gap narrowing in heavily doped silicon has been studied by optical techniques—namely, photoluminescence and photoluminescence excitation spectroscopy—and by electrical measurements on bipolar transistors. The optical experiments give a consistent set of data for the band-gap narrowing in n- and p-type material at low temperatures as well as at room temperature. A good agreement is found between the optical and electrical data removing the discrepancies existing so far in the literature.

  5. Study on band gap structure of Fibonacci quantum superlattices by using the transfer matrix method

    Science.gov (United States)

    Ferrando, V.; Castro-Palacio, J. C.; Marí, B.; Monsoriu, J. A.

    2014-02-01

    The scattering properties of particles in a one-dimensional Fibonacci sequence based potential have been analyzed by means of the Transfer Matrix Method. The electronic band gaps are examined comparatively with those obtained using the corresponding periodic potentials. The reflection coefficient shows self-similar properties for the Fibonacci superlattices. Moreover, by using the generalized Bragg's condition, the band gaps positions are derived from the golden mean involved in the design of the superlattice structure.

  6. Wide band gap tunability in complex transition metal oxides by site-specific substitution

    OpenAIRE

    Choi, Woo Seok; Chisholm, Matthew F.; Singh, David J.; Choi, Taekjib; Jellison Jr, Gerald E.; Lee, Ho Nyung

    2012-01-01

    Fabricating complex transition metal oxides with a tuneable band gap without compromising their intriguing physical properties is a longstanding challenge. Here we examine the layered ferroelectric bismuth titanate and demonstrate that, by site-specific substitution with the Mott insulator lanthanum cobaltite, its band gap can be narrowed as much as one electron volt, while remaining strongly ferroelectric. We find that when a specific site in the host material is preferentially substituted, ...

  7. 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.

  8. Robust room temperature ferromagnetism and band gap tuning in nonmagnetic Mg doped ZnO films

    Science.gov (United States)

    Quan, Zhiyong; Liu, Xia; Qi, Yan; Song, Zhilin; Qi, Shifei; Zhou, Guowei; Xu, Xiaohong

    2017-03-01

    Mg doped ZnO films with hexagonal wurtzite structure were deposited on c-cut sapphire Al2O3 substrates by pulsed laser deposition. Both room temperature ferromagnetism and band gap of the films simultaneously tuned by the concentration of oxygen vacancies were performed. Our results further reveal that the singly occupied oxygen vacancies should be responsible for the room temperature ferromagnetism and band gap narrowing. Singly occupied oxygen vacancies having the localized magnetic moments form bound magnetic polarons, which results in a long-range ferromagnetic ordering due to Mg doping. Moreover, band gap narrowing of the films is probably due to the formation of impurity band in the vicinity of valence band, originating from singly occupied oxygen vacancies. These results may build a bridge to understand the relationship between the magnetic and optical properties in oxide semiconductor, and are promising to integrate multiple functions in one system.

  9. Origins of electronic band gap reduction in Cr/N codoped TiO2.

    Science.gov (United States)

    Parks Cheney, C; Vilmercati, P; Martin, E W; Chiodi, M; Gavioli, L; Regmi, M; Eres, G; Callcott, T A; Weitering, H H; Mannella, N

    2014-01-24

    Recent studies indicated that noncompensated cation-anion codoping of wide-band-gap oxide semiconductors such as anatase TiO2 significantly reduces the optical band gap and thus strongly enhances the absorption of visible light [W. Zhu et al., Phys. Rev. Lett. 103, 226401 (2009)]. We used soft x-ray spectroscopy to fully determine the location and nature of the impurity levels responsible for the extraordinarily large (∼1 eV) band gap reduction of noncompensated codoped rutile TiO2. It is shown that Cr/N codoping strongly enhances the substitutional N content, compared to single element doping. The band gap reduction is due to the formation of Cr 3d3 levels in the lower half of the gap while the conduction band minimum is comprised of localized Cr 3d and delocalized N 2p states. Band gap reduction and carrier delocalization are critical elements for efficient light-to-current conversion in oxide semiconductors. These findings thus raise the prospect of using codoped oxide semiconductors with specifically engineered electronic properties in a variety of photovoltaic and photocatalytic applications.

  10. Feedback mechanism for the stability of the band gap of CuInSe2

    Science.gov (United States)

    Gütay, Levent; Regesch, David; Larsen, Jes K.; Aida, Yasuhiro; Depredurand, Valérie; Redinger, Alex; Caneva, Sabina; Schorr, Susan; Stephan, Christiane; Vidal, Julien; Botti, Silvana; Siebentritt, Susanne

    2012-07-01

    We report on experimental results on band gap and lattice distortion in CuInSe2 for various degrees of Cu deficiency. The band gap is measured by optical methods, and the Cu vacancy density and anion displacement parameter are determined by neutron scattering. Our data show that the band gap decreases for Cu-poor compositions, and the anion displacement is weakly dependent on the concentration of Cu vacancies. This is in apparent contradiction with ab initio calculations that always predict a larger band gap in presence of Cu vacancies. To shed light on this issue, we studied the overall dependence of the band gap on the anion displacement and on the concentration of Cu vacancies using a self-consistent GW approach and hybrid functionals, including a feedback mechanism that was recently proposed. Our calculations illustrate consistently the remarkable stability of the band gap of chalcopyrite semiconductors and explain the experimental observations by a coupled effect of Cu vacancies and lattice distortions within the feedback model.

  11. Influence of process parameters on band gap of AI-doped ZnO film

    Institute of Scientific and Technical Information of China (English)

    Diqiu HUANG; Xiangbin ZENG; Yajuan ZHENG; Xiaojin WANG; Yanyan YANG

    2013-01-01

    This paper presents the influence of process parameters, such as argon (Ar) flow rate, sputtering power and substrate temperature on the band gap of Al-doped ZnO film, Al-doped ZnO thin films were fabricated by radio frequency (RF) magnetron sputtering technology and deposited on polyimide and glass substrates. Under different Ar flow rates varied from 30 to 70 sccm, the band gap of thin films were changed from 3.56 to 3.67 eV. As sputtering power ranged from 125 to 200 W, the band gap was varied from 3.28 to 3.82 eV; the band gap was between 3.41 and 3.88 eV as substrate temperature increases from 150℃ to 300℃. Furthermore, the correlation between carrier concentration and band gap was investigated by HALL. These results demonstrate that the band gap of the Al-doped ZnO thin film can be adjusted by changing the Ar flow rate, sputtering power and substrate temperature, which can improve the performance of semiconductor devices related to Al-doped ZnO thin film.

  12. Acoustic band gaps in two-dimensional square arrays of semi-hollow circular cylinders

    Institute of Scientific and Technical Information of China (English)

    T.; Kim

    2009-01-01

    Concave surfaces focus sound while convex surfaces disperse sound. It is therefore interesting to know if it is possible to make use of these two opposite characteristics to enhance the band gap performance of periodic arrays of solid cylinders in air. In this paper, the band gap characteristics of a 2-D square array of semi-hollow circular cylinders embedded in air are investigated, both experimentally and theoretically. In comparison with the types of inclusion studied by previous researchers, a semi-hollow circular cylinder is unique in the sense that it has concave inner surfaces and convex outer surfaces. The finite difference time domain (FDTD) method is employed to study the propagation behavior of sound across the new phononic crystal of finite extent, and the influences of sample size and inclusion orientation on band gap characteristics are quantified in order to obtain the maximum band gap. For reference, the band gap behaviors of solid circular cylinder/air and hollow circular cylinder/air systems are considered and compared with those of semi-hollow circular cylinder/air systems. In addition to semi-hollow circular cylinders, other inclusion topologies such as semi-hollow triangular and square cylinders are also investigated. To validate the theoretical predictions, experimental measurements on square arrays of hollow Al cylinders in air and semi-hollow Al cylinders in air are carried out. The results demonstrate that the semi-hollow circular cylinder/air system has the best overall band gap performance.

  13. The Miscibility of PCBM in Low Band-Gap Conjugated Polymers in Organic Photovoltaics

    Science.gov (United States)

    Chen, Huipeng; You, Wei; Peet, Jeff; Azoulay, Jason; Bazan, Guillermo; Dadmun, Mark

    2012-02-01

    Understanding the morphology of the photoactive layer in organic photovoltaics (OPVs) is essential to optimizing conjugated polymer-based solar cells to meet the targeted efficiency of 10%. The miscibility and interdiffusion of components are among the key elements that impact the development of morphology and structure in OPV active layers. This study uses neutron reflectivity to correlate the structure of low band gap polymers to their miscibility with PCBM. Several low band gap polymers that exhibit power conversion efficiencies exceeding 7%, including PBnDT-DTffBT were examined. The intermixing of low band-gap polymer and PCBM bilayers was monitored by neutron reflectivity before and after thermal annealing, providing quantification of the miscibility and interdiffusion of PCBM within the low band gap polymer layer. These results indicate that the miscibility of PCBM ranges from 3% to 26% with the low band-gap polymers studied. The correlation between low band gap polymer structure and miscibility of PCBM will also be discussed.

  14. The optical band gap investigation of PVP-capped ZnO nanoparticles synthesized by sol-gel method

    Science.gov (United States)

    Yuliah, Yayah; Bahtiar, Ayi; Fitrilawati, Siregar, Rustam E.

    2016-02-01

    ZnO Nanoparticles (NPs) has unique natures on their crystal structure, direct band gap and high exciton binding energy, consequently applied in optoelectronic devices such as solar cells, optical wave guide and light emitting diodes (LED). However the drawback was ZnO NPs tend to agglomerate and turn to nano-structured materials with poor properties. Effort to avoid agglomerations generally resolved by surface modification of ZnO NPs to obtain well-dispersed suspension. However changes in the surface of ZnO NPs may change the electronic structure and density of states of ZnO NPs, in turn may change the optical band gap. Thus, the objective of current research is investigation of optical band gap of ZnO NPs due to surface modification by capping agent of poly-4-vinylpyrrolidone (PVP) molecules. Uncapped and PVP-capped ZnO nanoparticles were prepared by sol-gel method. The characteristics of surface modifications were investigated by UV-Vis and Photo Luminescence spectroscopy and Transmission Electron Microscope (TEM). The results shows the surface modification has change the band gap of ZnO NPs obtained at second precipitated stage. In contrast, the change of the optical band gap did not observe due to the surface modification of ZnO NPs obtained at the first stage. It was concluded that PVP capping on ZnO NPs did not affect on the band gap when the capping was performed on first stage. It is emphasized that this statement also supported by TEM images observations.

  15. Application and comparison of band gap narrowing models for passivated phosphorus doped silicon surfaces

    Science.gov (United States)

    Kimmerle, Achim; Greulich, Johannes; Haug, Halvard; Wolf, Andreas

    2016-01-01

    In this work, the recently proposed band-gap narrowing model by Yan and Cuevas [J. Appl. Phys. 114, 044508 (2013)] is evaluated by simulations of the recombination pre-factor J0 of highly phosphorus doped, passivated crystalline silicon surfaces, which are particularly relevant for solar cell applications. The results were fitted to experimental J0 data measured on a large range of samples exhibiting different dopant profiles and passivation coatings, both for planar and textured surfaces. For each sample, the surface recombination velocity parameter Sp was extracted by fitting the simulation results to the experimental data. We show that the Yan and Cuevas' model developed for Fermi-Dirac statistics leads to a smooth and monotonically increasing curve for Sp as a function of the surface dopant concentration Nsurf, for both investigated passivation layers. We provide a parameterization for this relation and compare the findings with those obtained with the widely used model by Schenk [J. Appl. Phys. 84, 3684 (1998)]. On the other hand, we show that the apparent band gap narrowing of Yan and Cuevas developed for use with Boltzmann statistics cannot be used to describe the experimental data, requiring unphysical negative Sp values for high Nsurf.

  16. 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.

  17. Incomplete photonic band gap as inferred from the speckle pattern of scattered light waves.

    Science.gov (United States)

    Apalkov, V M; Raikh, M E; Shapiro, B

    2004-06-25

    Motivated by recent experiments on intensity correlations of the waves transmitted through disordered media, we demonstrate that the speckle pattern from disordered photonic crystal with incomplete band gap represents a sensitive tool for determination of the stop-band width. We establish the quantitative relation between this width and the angular anisotropy of the intensity correlation function.

  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. 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...

  20. Band gap tunability of magneto-elastic phononic crystal

    Science.gov (United States)

    Bou Matar, O.; Robillard, J. F.; Vasseur, J. O.; Hladky-Hennion, A.-C.; Deymier, P. A.; Pernod, P.; Preobrazhensky, V.

    2012-03-01

    The possibility of control and tuning of the band structures of phononic crystals offered by the introduction of an active magnetoelastic material and the application of an external magnetic field is studied. Two means to obtain large elastic properties variations in magnetoelastic material are considered: Giant magnetostriction and spin reorientation transition effects. A plane wave expansion method is used to calculate the band structures. The magnetoelastic coupling is taken into account through the consideration of an equivalent piezomagnetic material model with elastic, piezomagnetic, and magnetic permeability tensors varying as a function of the amplitude and orientation of the applied magnetic field. Results of contactless tunability of the absolute bandgap are presented for a two-dimensional phononic crystal constituted of Terfenol-D square rod embedded in an epoxy matrix.

  1. 基于高阻抗表面PBG结构微带天线的设计与分析%Design and Analysis of Microstrip Antenna Based on Photonic Band-gap Structure with High Impedance Surface

    Institute of Scientific and Technical Information of China (English)

    汪仲清; 彭丽丹; 李宝; 徐荣森

    2013-01-01

    以高介电常数介质为基底,利用辐射贴片开槽和微带馈电技术,设计了一款尺寸仅为16 mm×12.45 mm的小型微带天线.通过在此天线微带贴片周围加载高阻抗表面型光子晶体,有效抑制了表面波,改善了以高介电常数介质为基底的贴片天线的性能,实现了一款多频小型化PBG天线.HFSS仿真结果表明,加载高阻抗表面结构后的微带天线出现了三个谐振频点,分别为2.74、2.86和3.80 GHz,其对应的增益分别达到6.02、8.38和5.69 dB.所设计的光子晶体天线物理尺寸较小,方向性良好且具有多频特性,因此可为实际通信天线的应用提供参考.%Based on dielectric substrate with high dielectric constant,a miniaturized microstrip antenna with the size of only 16 mm× 12.45 mm was designed with the techniques of grooving the patch and microstrip feed.By loading the high impedance surface around the patch,the surface wave was suppressed effectively and the antenna performance was improved,then a multi-frequency and miniaturized antenna based on photonic band-gap (PBG) was realized.Simulation results obtained by HFSS show that,the microstrip antenna based on high impedance surface structure has three resonant frequencies:2.74 GHz,2.86 GHz and 3.80 GHz,and the corresponding gains are 6.02 dB,8.83 dB and 5.69 dB,respectively.The antenna based on PBG owns the characteristics of smaller size,good radiation performance and multi-frequency,which can provide reference for practical communication applications.

  2. Pressure dependence of the band-gap energy in BiTeI

    OpenAIRE

    Güler-Kılıç, Sümeyra; Kılıç, Çetin

    2016-01-01

    The evolution of the electronic structure of BiTeI, a layered semiconductor with a van der Waals gap, under compression is studied by employing semilocal and dispersion-corrected density-functional calculations. Comparative analysis of the results of these calculations shows that the band-gap energy of BiTeI decreases till it attains a minimum value of zero at a critical pressure, after which it increases again. The critical pressure corresponding to the closure of the band gap is calculated,...

  3. 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.

  4. Synergistic effects on band gap-narrowing in titania by codoping from first-principles calculations

    OpenAIRE

    2010-01-01

    The large intrinsic band gap in TiO2 has hindered severely its potential application for visible-light irradiation. In this study, we have used a passivated approach to modify the band edges of anatase-TiO2 by codoping of X (N, C) with transition metals (TM=W, Re, Os) to extend the absorption edge to longer visible-light wavelengths. It was found that all the codoped systems can narrow the band gap significantly; in particular, (N+W)-codoped systems could serve as remarkably better photocatal...

  5. Band Gap and Waveguide States in Two-Dimensional Disorder Phononic Crystals

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-Chun; LIU Zheng-You; LIANG Hong-Yu; XIAO Qing-Wu

    2006-01-01

    @@ The influences of the configurational disorders on phononic band gaps and on waveguide modes are investigated for the two-dimensional phononic crystals consisting of water cylinders periodically arrayed in mercury. Two types of conflgurational disorders, relevant to the cylinder position and cylinder size respectively, are taken into account. It is found that the phononic band gap and the guide band are sensitive to the disorders, and generally become narrower with the increasing disorders. It is also found that the waveguide side walls without disorder can significantly prevent the guide modes in the waveguide from influence by the disorders in the crystals to a large amount.

  6. Band-gap narrowing in the space-charge region of heavily doped silicon diodes

    Science.gov (United States)

    Lowney, Jeremiah R.

    1985-02-01

    The densities of states of the valence and conduction bands have been calculated in the space-charge region of a heavily doped linearly graded p- n junction silicon diode. Both the donor and acceptor densities were chosen to be equal to 6.2 × 10 18 cm -3. The results showed the emergence of band tails which penetrated deeply into the energy gap and accounted for the band-gap narrowing observed in such a diode by analysis of capacitance vs voltage measurements of the built-in voltage.

  7. 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.

  8. Improving band gap prediction in density functional theory from molecules to solids.

    Science.gov (United States)

    Zheng, Xiao; Cohen, Aron J; Mori-Sánchez, Paula; Hu, Xiangqian; Yang, Weitao

    2011-07-08

    A novel nonempirical scaling correction method is developed to tackle the challenge of band gap prediction in density functional theory. For finite systems the scaling correction largely restores the straight-line behavior of electronic energy at fractional electron numbers. The scaling correction can be generally applied to a variety of mainstream density functional approximations, leading to significant improvement in the band gap prediction. In particular, the scaled version of a modified local density approximation predicts band gaps with an accuracy consistent for systems of all sizes, ranging from atoms and molecules to solids. The scaled modified local density approximation thus provides a useful tool to quantitatively characterize the size-dependent effect on the energy gaps of nanostructures.

  9. Modifying the band gap and optical properties of Germanium nanowires by surface termination

    Science.gov (United States)

    Legesse, Merid; Fagas, Giorgos; Nolan, Michael

    2017-02-01

    Semiconductor nanowires, based on silicon (Si) or germanium (Ge) are leading candidates for many ICT applications, including next generation transistors, optoelectronics, gas and biosensing and photovoltaics. Key to these applications is the possibility to tune the band gap by changing the diameter of the nanowire. Ge nanowires of different diameter have been studied with H termination, but, using ideas from chemistry, changing the surface terminating group can be used to modulate the band gap. In this paper we apply the generalised gradient approximation of density functional theory (GGA-DFT) and hybrid DFT to study the effect of diameter and surface termination using -H, -NH2 and -OH groups on the band gap of (001), (110) and (111) oriented germanium nanowires. We show that the surface terminating group allows both the magnitude and the nature of the band gap to be changed. We further show that the absorption edge shifts to longer wavelength with the -NH2 and -OH terminations compared to the -H termination and we trace the origin of this effect to valence band modifications upon modifying the nanowire with -NH2 or -OH. These results show that it is possible to tune the band gap of small diameter Ge nanowires over a range of ca. 1.1 eV by simple surface chemistry.

  10. 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

    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...... band gap of 7.3 eV, which is about ∼1.4 eV lower than its crystalline counterpart (single-crystal Al2O3). Upon Ti-alloying, extra bands appear within the band gap of amorphous Al2O3, mainly caused by Ti 3d orbitals localized at the Ti site....

  11. Two-Dimensional Phononic-Photonic Band Gap Optomechanical Crystal Cavity

    Science.gov (United States)

    Safavi-Naeini, Amir H.; Hill, Jeff T.; Meenehan, Seán; Chan, Jasper; Gröblacher, Simon; Painter, Oskar

    2014-04-01

    We present the fabrication and characterization of an artificial crystal structure formed from a thin film of silicon that has a full phononic band gap for microwave X-band phonons and a two-dimensional pseudo-band gap for near-infrared photons. An engineered defect in the crystal structure is used to localize optical and mechanical resonances in the band gap of the planar crystal. Two-tone optical spectroscopy is used to characterize the cavity system, showing a large coupling (g0/2π≈220 kHz) between the fundamental optical cavity resonance at ωo/2π =195 THz and colocalized mechanical resonances at frequency ωm/2π ≈9.3 GHz.

  12. 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.

  13. Low frequency band gaps below 10 Hz in radial flexible elastic metamaterial plate

    Science.gov (United States)

    Gao, Nansha; Hou, Hong; Wu, Jiu Hui; Cheng, Baozhu

    2016-11-01

    This paper presents the low frequency acoustic properties of a new proposed elastic metamaterial, which is arranged in the axial coordinate. The band structures, transmission spectra, and eigenmode displacement fields of this metamaterial are different from previous elastic metamaterial structures. Numerical calculation results show that the first order band gap of the radial flexible elastic metamaterial plate is below 10 Hz. A multiple-vibration coupling mechanism is proposed to explain the low frequency band gaps. By changing the geometrical dimensions h 1, h 2, b 1, and b 1 of the centre part, the location and width of the low frequency band gaps can be varied easily. The effects of density and Young’s modulus are also discussed in detail. In summary, the radial flexible elastic metamaterial plate can restrain low frequency vibration, owing to which it can potentially be used to protect infrasound, generate filters, and design acoustic devices.

  14. Simultaneous band-gap narrowing and carrier-lifetime prolongation of organic–inorganic trihalide perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Lingping; Liu, Gang; Gong, Jue; Hu, Qingyang; Schaller, Richard D.; Dera, Przemyslaw; Zhang, Dongzhou; Liu, Zhenxian; Yang, Wenge; Zhu, Kai; Tang, Yuzhao; Wang, Chuanyi; Wei, Su-Huai; Xu, Tao; Mao, Ho-kwang

    2016-07-21

    The organic-inorganic hybrid lead trihalide perovskites have been emerging as the most attractive photovoltaic materials. As regulated by Shockley-Queisser theory, a formidable materials science challenge for improvement to the next level requires further band-gap narrowing for broader absorption in solar spectrum, while retaining or even synergistically prolonging the carrier lifetime, a critical factor responsible for attaining the near-band-gap photovoltage. Herein, by applying controllable hydrostatic pressure, we have achieved unprecedented simultaneous enhancement in both band-gap narrowing and carrier-lifetime prolongation (up to 70% to -100% increase) under mild pressures at -0.3 GPa. The pressure-induced modulation on pure hybrid perovskites without introducing any adverse chemical or thermal effect clearly demonstrates the importance of band edges on the photon-electron interaction and maps a pioneering route toward a further increase in their photovoltaic performance.

  15. Simultaneous band-gap narrowing and carrier-lifetime prolongation of organic-inorganic trihalide perovskites.

    Science.gov (United States)

    Kong, Lingping; Liu, Gang; Gong, Jue; Hu, Qingyang; Schaller, Richard D; Dera, Przemyslaw; Zhang, Dongzhou; Liu, Zhenxian; Yang, Wenge; Zhu, Kai; Tang, Yuzhao; Wang, Chuanyi; Wei, Su-Huai; Xu, Tao; Mao, Ho-Kwang

    2016-08-09

    The organic-inorganic hybrid lead trihalide perovskites have been emerging as the most attractive photovoltaic materials. As regulated by Shockley-Queisser theory, a formidable materials science challenge for improvement to the next level requires further band-gap narrowing for broader absorption in solar spectrum, while retaining or even synergistically prolonging the carrier lifetime, a critical factor responsible for attaining the near-band-gap photovoltage. Herein, by applying controllable hydrostatic pressure, we have achieved unprecedented simultaneous enhancement in both band-gap narrowing and carrier-lifetime prolongation (up to 70% to ∼100% increase) under mild pressures at ∼0.3 GPa. The pressure-induced modulation on pure hybrid perovskites without introducing any adverse chemical or thermal effect clearly demonstrates the importance of band edges on the photon-electron interaction and maps a pioneering route toward a further increase in their photovoltaic performance.

  16. Simultaneous band-gap narrowing and carrier-lifetime prolongation of organic–inorganic trihalide perovskites

    Science.gov (United States)

    Kong, Lingping; Liu, Gang; Gong, Jue; Hu, Qingyang; Schaller, Richard D.; Dera, Przemyslaw; Zhang, Dongzhou; Liu, Zhenxian; Yang, Wenge; Zhu, Kai; Tang, Yuzhao; Wang, Chuanyi; Wei, Su-Huai; Xu, Tao; Mao, Ho-kwang

    2016-01-01

    The organic–inorganic hybrid lead trihalide perovskites have been emerging as the most attractive photovoltaic materials. As regulated by Shockley–Queisser theory, a formidable materials science challenge for improvement to the next level requires further band-gap narrowing for broader absorption in solar spectrum, while retaining or even synergistically prolonging the carrier lifetime, a critical factor responsible for attaining the near-band-gap photovoltage. Herein, by applying controllable hydrostatic pressure, we have achieved unprecedented simultaneous enhancement in both band-gap narrowing and carrier-lifetime prolongation (up to 70% to ∼100% increase) under mild pressures at ∼0.3 GPa. The pressure-induced modulation on pure hybrid perovskites without introducing any adverse chemical or thermal effect clearly demonstrates the importance of band edges on the photon–electron interaction and maps a pioneering route toward a further increase in their photovoltaic performance. PMID:27444014

  17. Minority carrier blocking to enhance the thermoelectric figure of merit in narrow-band-gap semiconductors

    Science.gov (United States)

    Bahk, Je-Hyeong; Shakouri, Ali

    2016-04-01

    We present detailed theoretical predictions on the enhancement of the thermoelectric figure of merit by minority carrier blocking with heterostructure barriers in bulk narrow-band-gap semiconductors. Bipolar carrier transport, which is often significant in a narrow-band-gap material, is detrimental to the thermoelectric energy conversion efficiency as it suppresses the Seebeck coefficient and increases the thermal conductivity. When the minority carriers are selectively prevented from participating in conduction while the transport of majority carriers is relatively unaffected by one-sided heterobarriers, the thermoelectric figure of merit can be drastically enhanced. Thermoelectric transport properties such as Seebeck coefficient, electrical conductivity, and electronic thermal conductivity including the bipolar term are calculated with and without the barriers based on the near-equilibrium Boltzmann transport equations under the relaxation time approximation to investigate the effects of minority carrier barriers on the thermoelectric figure of merit. For this, we provide details of carrier transport modeling and fitting results of experimental data for three important material systems, B i2T e3 -based alloys, M g2S i1 -xS nx , and S i1 -xG ex , that represent, respectively, near-room-temperature (300 K-500 K), midtemperature (600 K-900 K), and high-temperature (>1000 K ) applications. Theoretical maximum enhancement of thermoelectric figure of merit that can be achieved by minority carrier blocking is quantified and discussed for each of these semiconductors.

  18. Band Gap Energies and Refractive Indices of Epitaxial Pb1-xSrxTe Thin Films

    Institute of Scientific and Technical Information of China (English)

    WENG Bin-Bin; WU Hui-Zhen; SI Jian-Xiao; XU Tian-Ning

    2008-01-01

    Pb1-xSrx Te thin films with different strontium (St) compositions are grown on BaF2 (111) substrates by molecular beam epitaxy (MBE). Using high resolution x-ray diffraction (HRXRD), we obtain Pb1-xSrx Te lattice constants,which vary in the range 6.462-6.492 A. According to the Vegard law and HRXRD data, Sr compositions in Pb1-xSrxTe thin films range from 0.0-8.0%. The Pb1-xSrx Te refractive index dispersions are attained from infrared transmission spectrum characterized by Fourier transform infrared (FTIR) transmission spectroscopy.It is found that refractive index decreases while Sr content increases in Pb1-xSrx Te. We also simulate the Pb1-xSrx Te transmission spectra theoretically to obtain the optical band gap energies which range between0.320 e V and 0.449 e V. The simulated results are in good agreement with the FTIR data. Finally, we determine the relation between Ph1-xSrx Te band gap energies and Sr compositions (Eg = 0.320+0.510x- 0.930x2 + 184x3 (e V) ).

  19. Photonic band gaps in quasiperiodic photonic crystals with negative refractive index

    Science.gov (United States)

    Vasconcelos, M. S.; Mauriz, P. W.; de Medeiros, F. F.; Albuquerque, E. L.

    2007-10-01

    We investigate the photonic band gaps in quasiperiodic photonic crystals made up of both positive (SiO2) and negative refractive index materials using a theoretical model based on a transfer matrix treatment. The quasiperiodic structures are characterized by the nature of their Fourier spectrum, which can be dense pure point (Fibonacci sequences) or singular continuous (Thue-Morse and double-period sequences). These substitutional sequences are described in terms of a series of generations that obey peculiar recursion relations. We discussed the photonic band gap spectra for both the ideal cases, where the negative refractive index material can be approximated as a constant in the frequency range considered, as well as the more realistic case, taking into account the frequency-dependent electric permittivity γ and magnetic permeability μ . We also present a quantitative analysis of the results, pointing out the distribution of the allowed photonic bandwidths for high generations, which gives a good insight about their localization and power laws.

  20. 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.

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

    Science.gov (United States)

    Zeng, Yijie; Xing, Huaizhong; Fang, Yanbian; Huang, Yan; Lu, Aijiang; Chen, Xiaoshuang

    2014-10-31

    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.

  2. Pressure dependence of the band-gap energy in BiTeI

    Science.gov (United States)

    Güler-Kılıç, Sümeyra; Kılıç, ćetin

    2016-10-01

    The evolution of the electronic structure of BiTeI, a layered semiconductor with a van der Waals gap, under compression is studied by employing semilocal and dispersion-corrected density-functional calculations. Comparative analysis of the results of these calculations shows that the band-gap energy of BiTeI decreases till it attains a minimum value of zero at a critical pressure, after which it increases again. The critical pressure corresponding to the closure of the band gap is calculated, at which BiTeI becomes a topological insulator. Comparison of the critical pressure to the pressure at which BiTeI undergoes a structural phase transition indicates that the closure of the band gap would not be hindered by a structural transformation. Moreover, the band-gap pressure coefficients of BiTeI are computed, and an expression of the critical pressure is devised in terms of these coefficients. Our findings indicate that the semilocal and dispersion-corrected approaches are in conflict about the compressibility of BiTeI, which result in overestimation and underestimation, respectively. Nevertheless, the effect of pressure on the atomic structure of BiTeI is found to be manifested primarily as the reduction of the width of the van der Waals gap according to both approaches, which also yield consistent predictions concerning the interlayer metallic bonding in BiTeI under compression. It is consequently shown that the calculated band-gap energies follow qualitatively and quantitatively the same trend within the two approximations employed here, and the transition to the zero-gap state occurs at the same critical width of the van der Waals gap.

  3. Strain-Induced Energy Band Gap Opening in Two-Dimensional Bilayered Silicon Film

    Science.gov (United States)

    Ji, Z.; Zhou, R.; Lew Yan Voon, L. C.; Zhuang, Y.

    2016-10-01

    This work presents a theoretical study of the structural and electronic properties of bilayered silicon film (BiSF) under in-plane biaxial strain/stress using density functional theory (DFT). Atomic structures of the two-dimensional (2-D) silicon films are optimized by using both the local-density approximation (LDA) and generalized gradient approximation (GGA). In the absence of strain/stress, five buckled hexagonal honeycomb structures of the BiSF with triangular lattice have been obtained as local energy minima, and their structural stability has been verified. These structures present a Dirac-cone shaped energy band diagram with zero energy band gaps. Applying a tensile biaxial strain leads to a reduction of the buckling height. Atomically flat structures with zero buckling height have been observed when the AA-stacking structures are under a critical biaxial strain. Increase of the strain between 10.7% and 15.4% results in a band-gap opening with a maximum energy band gap opening of ˜0.17 eV, obtained when a 14.3% strain is applied. Energy band diagrams, electron transmission efficiency, and the charge transport property are calculated. Additionally, an asymmetric energetically favorable atomic structure of BiSF shows a non-zero band gap in the absence of strain/stress and a maximum band gap of 0.15 eV as a -1.71% compressive strain is applied. Both tensile and compressive strain/stress can lead to a band gap opening in the asymmetric structure.

  4. k.p theory of freestanding narrow band gap semiconductor nanowires

    Science.gov (United States)

    Luo, Ning; Liao, Gaohua; Xu, H. Q.

    2016-12-01

    We report on a theoretical study of the electronic structures of freestanding nanowires made from narrow band gap semiconductors GaSb, InSb and InAs. The nanowires are described by the eight-band k.p Hamiltonians and the band structures are computed by means of the finite element method in a mixture basis consisting of linear triangular elements inside the nanowires and constrained Hermite triangular elements near the boundaries. The nanowires with two crystallographic orientations, namely the [001] and [111] orientations, and with different cross-sectional shapes are considered. For each orientation, the nanowires of the three narrow band gap semiconductors are found to show qualitatively similar characteristics in the band structures. However, the nanowires oriented along the two different crystallographic directions are found to show different characteristics in the valence bands. In particular, it is found that all the conduction bands show simple, good parabolic dispersions in both the [001]- and [111]-oriented nanowires, while the top valence bands show double-maximum structures in the [001]-oriented nanowires, but single-maximum structures in the [111]-oriented nanowires. The wave functions and spinor distributions of the band states in these nanowires are also calculated. It is found that significant mixtures of electron and hole states appear in the bands of these narrow band gap semiconductor nanowires. The wave functions exhibit very different distribution patterns in the nanowires oriented along the [001] direction and the nanowires oriented along the [111] direction. It is also shown that single-band effective mass theory could not reproduce all the band state wave functions presented in this work.

  5. Development of imaging arrays for solar UV observations based on wide band gap materials

    Science.gov (United States)

    Schuehle, Udo H.; Hochedez, Jean-Francois E.; Pau, Jose Luis; Rivera, Carlos; Munoz, Elias; Alvarez, Jose; Kleider, Jean-Paul; Lemaire, Philippe; Appourchaux, Thierry; Fleck, Bernhard; Peacock, Anthony; Richter, Mathias; Kroth, Udo; Gottwald, Alexander; Castex, Marie-Claude; Deneuville, Alain; Muret, Pierre; Nesladek, Milos; Omnes, Franck; John, Joachim; Van Hoof, Chris

    2004-02-01

    Solar ultraviolet imaging instruments in space pose most demanding requirements on their detectors in terms of dynamic range, low noise, high speed, and high resolution. Yet UV detectors used on missions presently in space have major drawbacks limiting their performance and stability. In view of future solar space missions we have started the development of new imaging array devices based on wide band gap materials (WBGM), for which the expected benefits of the new sensors - primarily visible blindness and radiation hardness - will be highly valuable. Within this initiative, called "Blind to Optical Light Detectors (BOLD)", we have investigated devices made of AlGa-nitrides and diamond. We present results of the responsivity measurements extending from the visible down to extreme UV wavelengths. We discuss the possible benefits of these new devices and point out ways to build new imaging arrays for future space missions.

  6. 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.

  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. Band-gap control in phosphorene/BN structures from first-principles calculations

    Science.gov (United States)

    Marsoner Steinkasserer, Lukas Eugen; Suhr, Simon; Paulus, Beate

    2016-09-01

    Using both DFT as well as G0W0 calculations, we investigate static and dynamic effects on the phosphorene band gap upon deposition and encapsulation on/in BN multilayers. We demonstrate how competing long- and short-range effects cause the phosphorene band gap to increase at low P -BN interlayer spacings, while the band gap is found to drop below that of isolated phosphorene in the BN/P bilayer at intermediate distances around 4 Å. Subsequent stacking of BN layers, i.e., BN/BN/P and BN/BN/BN/P is found to have a negligible effect at the DFT level while at the G0W0 level, increased screening lowers the band gap as compared to the BN/P bilayer. Encapsulation between two BN layers, on the other hand, is found to further increase the phosphorene band gap with respect to the BN/P bilayer. Lastly we investigate the use of the GLLB-SC functional as a starting point for G0W0 calculations showing it to, in the case of phosphorene, yield results close to those obtained from G W0@P B E .

  9. Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

    Science.gov (United States)

    Jensen, J. S.

    2003-10-01

    The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous damping, and imperfections are studied by analyzing two examples; a 1-D filter and a 2-D wave guide. In 1-D the structural response in the band gap is shown to be insensitive to damping and small imperfections. In 2-D the similar effect of damping is noted for one type of periodic structure, whereas for another type the band gap effect is nearly eliminated by damping. In both 1-D and 2-D it is demonstrated how the free structural boundaries affect the response in the band gap due to local resonances. Finally, 2-D wave guides are considered by replacing the periodic structure with a homogeneous structure in a straight and a 90° bent path, and it is shown how the vibrational response is confined to the paths in the band gap frequency ranges.

  10. Band gap engineering of zinc selenide thin films through alloying with cadmium telluride.

    Science.gov (United States)

    Al-Kuhaili, M F; Kayani, A; Durrani, S M A; Bakhtiari, I A; Haider, M B

    2013-06-12

    This work investigates band gap engineering of zinc selenide (ZnSe) thin films. This was achieved by mixing ZnSe with cadmium telluride (CdTe). The mass ratio (x) of CdTe in the starting material was varied in the range x = 0-0.333. The films were prepared using thermal evaporation. The chemical composition of the films was investigated through energy dispersive spectroscopy and Rutherford backscattering spectrometry. Structural analysis was carried out using X-ray diffraction and atomic force microscopy. Normal incidence transmittance and reflectance were measured over the wavelength range 300-1300 nm. The absorption coefficients and band gaps were determined from these spectrophotometric measurements. The band gap monotonically decreased from 2.58 eV (for x = 0) to 1.75 eV (for x = 0.333). Photocurrent measurements indicated that the maximum current density was obtained for films with x = 0.286. A figure of merit, based on crystallinity, band gap, and photocurrent, was defined. The optimum characteristics were obtained for the films with x = 0.231, for which the band gap was 2.14 eV.

  11. Direct band gap silicon crystals predicted by an inverse design method

    Science.gov (United States)

    Oh, Young Jun; Lee, In-Ho; Lee, Jooyoung; Kim, Sunghyun; Chang, Kee Joo

    2015-03-01

    Cubic diamond silicon has an indirect band gap and does not absorb or emit light as efficiently as other semiconductors with direct band gaps. Thus, searching for Si crystals with direct band gaps around 1.3 eV is important to realize efficient thin-film solar cells. In this work, we report various crystalline silicon allotropes with direct and quasi-direct band gaps, which are predicted by the inverse design method which combines a conformation space annealing algorithm for global optimization and first-principles density functional calculations. The predicted allotropes exhibit energies less than 0.3 eV per atom and good lattice matches, compared with the diamond structure. The structural stability is examined by performing finite-temperature ab initio molecular dynamics simulations and calculating the phonon spectra. The absorption spectra are obtained by solving the Bethe-Salpeter equation together with the quasiparticle G0W0 approximation. For several allotropes with the band gaps around 1 eV, photovoltaic efficiencies are comparable to those of best-known photovoltaic absorbers such as CuInSe2. This work is supported by the National Research Foundation of Korea (2005-0093845 and 2008-0061987), Samsung Science and Technology Foundation (SSTF-BA1401-08), KIAS Center for Advanced Computation, and KISTI (KSC-2013-C2-040).

  12. 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.

  13. Assessing the performance of self-consistent hybrid functional for band gap calculation in oxide semiconductors.

    Science.gov (United States)

    He, Jiangang; Franchini, Cesare

    2017-08-16

    In this paper we assess the predictive power of the self-consistent hybrid functional scPBE0 in calculating the band gap of oxide semiconductors. The computational procedure is based on the self-consistent evaluation of the mixing parameter α by means of an iterative calculation of the static dielectric constant using the perturbation expansion after discretization (PEAD) method and making use of the relation α = 1/ε. Our materials dataset is formed by 30 compounds covering a wide range of band gaps and dielectric properties, and includes materials with a wide spectrum of application as thermoelectrics, photocatalysis, photovoltaics, transparent conducting oxides, and refractory materials. Our results show that the scPBE0 functional provides better band gaps than the non self-consistent hybrids PBE0 and HSE06, but scPBE0 does not show significant improvement on the description of the static dielectric constants. Overall, the scPBE0 data exhibit a mean absolute percentage error of 14 % (band gaps) and 10 % (α = 1/ε). For materials with weak dielectric screening and large excitonic biding energies scPBE0, unlike PBE0 and HSE06, overestimates the band gaps, but the value of the gap become very close to the experimental value when excitonic effects are included (e.g. for SiO2). However, special caution must be given to the compounds with small band gaps due to the tendency of scPBE0 to overestimate the dielectric constant in proximity of the metallic limit. © 2017 IOP Publishing Ltd.

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

    Science.gov (United States)

    Mukherjee, Sushovan; Scarpa, Fabrizio; Gopalakrishnan, S.

    2016-05-01

    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.

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

    DEFF Research Database (Denmark)

    Hernandez Botella, Juan Carlos

    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...... 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...... compared to Si semiconductors. Moreover, both semiconductor materials are particularly interesting for high temperature operation. These characteristics makes integration of SiC and GaN devices as the next logical step to further increase efficiency and power density in SMPS. This work is part of the Ph...

  16. Chemical Vapor Deposition of Monolayer Mo(1-x)W(x)S2 Crystals with Tunable Band Gaps.

    Science.gov (United States)

    Wang, Ziqian; Liu, Pan; Ito, Yoshikazu; Ning, Shoucong; Tan, Yongwen; Fujita, Takeshi; Hirata, Akihiko; Chen, Mingwei

    2016-02-22

    Band gap engineering of monolayer transition metal dichalcogenides, such as MoS2 and WS2, is essential for the applications of the two-dimensional (2D) crystals in electronic and optoelectronic devices. Although it is known that chemical mixture can evidently change the band gaps of alloyed Mo(1-x)W(x)S2 crystals, the successful growth of Mo(1-x)W(x)S2 monolayers with tunable Mo/W ratios has not been realized by conventional chemical vapor deposition. Herein, we developed a low-pressure chemical vapor deposition (LP-CVD) method to grow monolayer Mo(1-x)W(x)S2 (x = 0-1) 2D crystals with a wide range of Mo/W ratios. Raman spectroscopy and high-resolution transmission electron microscopy demonstrate the homogeneous mixture of Mo and W in the 2D alloys. Photoluminescence measurements show that the optical band gaps of the monolayer Mo(1-x)W(x)S2 crystals strongly depend on the Mo/W ratios and continuously tunable band gap can be achieved by controlling the W or Mo portion by the LP-CVD.

  17. Microscopic theoretical model study of band gap opening in AA-stacked bi-layer graphene

    Science.gov (United States)

    Sahu, Sivabrata; Parashar, S. K. S.; Rout, G. C.

    2016-05-01

    We address here a tight-binding theoretical model calculation for AA-stacked bi-layer graphene taking into account of a biased potential between two layers to study the density of states and the band dispersion within the total Brillouin zone. We have calculated the electronic Green's function for electron operator corresponding to A and B sub lattices by Zubarev's Green's function technique from which the electronic density of states and the electron band energy dispersion are calculated. The numerically computed density of states and band energy dispersions are investigated by tuning the biased potential to exhibit the band gap by varying the different physical parameters.

  18. Low band gap frequencies and multiplexing properties in 1D and 2D mass spring structures

    Science.gov (United States)

    Aly, Arafa H.; Mehaney, Ahmed

    2016-11-01

    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.

  19. A note on anomalous band-gap variations in semiconductors with temperature

    Science.gov (United States)

    Chakraborty, P. K.; Mondal, B. N.

    2017-09-01

    An attempt is made to theoretically study the band-gap variations (ΔEg) in semiconductors with temperature following the works, did by Fan and O'Donnell et al. based on thermodynamic functions. The semiconductor band-gap reflects the bonding energy. An increase in temperature changes the chemical bondings, and electrons are promoted from valence band to conduction band. In their analyses, they made several approximations with respect to temperature and other fitting parameters leading to real values of band-gap variations with linear temperature dependences. In the present communication, we have tried to re-analyse the works, specially did by Fan, and derived an analytical model for ΔEg(T). Because, it was based on the second-order perturbation technique of thermodynamic functions. Our analyses are made without any approximations with respect to temperatures and other fitting parameters mentioned in the text, leading to a complex functions followed by an oscillating nature of the variations of ΔEg. In support of the existence of the oscillating energy band-gap variations with temperature in a semiconductor, possible physical explanations are provided to justify the experimental observation for various materials.

  20. 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 (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.

  1. 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......-gaps are determined by means of the method of varying amplitudes. For the general symmetric corrugation shape, the width of each odd band-gap is controlled only by one harmonic in the corrugation series with its number being equal to the number of the band-gap. Widths of even band-gaps, however, are influenced by all...... the harmonics involved in the corrugation series, so that the lower frequency band-gaps can emerge. These are band-gaps located below the frequency corresponding to the lowest harmonic in the corrugation series. For the general non-symmetric corrugation shape, the mth band-gap is controlled only by one, the mth...

  2. EFFECT OF THE DEFECT STATES DENSITY ON OPTICAL BAND GAP OF CdIn2O4 THIN FILM

    Institute of Scientific and Technical Information of China (English)

    H.S. San; Z.G. Wu; B. Li; B.X. Feng

    2005-01-01

    Transparent conducting oxides CdIn2O4 thin films were prepared by radio-frequency reactive sputtering from a Cd-In alloy target in Ar+O2 atmosphere. By transmission spectrum and Hall measurement for different samples prepared at different substrate temperatures, it could be found that the carrier concentration would increase with the decrease of substrate temperature, but absorption edge showed an abrupt variation from a blue shift to a red shift.Theoretically, the paper formulated the effect of high-density point defects on band structures; it embodied the formation of band tailing, Burstein-Moss shift and band-gap narrowing. The density of holes will influence the magnitude of optical band gap and transmittance of light. Since extrapolation method does not fit degenerate semiconductor materials, a more accurate method of obtaining optical band gap is curve fitting. In addition, ionized impurities scattering is the main damping mechanism of the free electrons in CdIn2O4 films, the density of ionized impurities induced by altering substrate temperature will affect the carriers mobility.

  3. Band gap engineering in polymers through chemical doping and applied mechanical strain

    Science.gov (United States)

    Lanzillo, Nicholas A.; Breneman, Curt M.

    2016-08-01

    We report simulations based on density functional theory and many-body perturbation theory exploring the band gaps of common crystalline polymers including polyethylene, polypropylene and polystyrene. Our reported band gaps of 8.6 eV for single-chain polyethylene and 9.1 eV for bulk crystalline polyethylene are in excellent agreement with experiment. The effects of chemical doping along the polymer backbone and side-groups are explored, and the use mechanical strain as a means to modify the band gaps of these polymers over a range of several eV while leaving the dielectric constant unchanged is discussed. This work highlights some of the opportunities available to engineer the electronic properties of polymers with wide-reaching implications for polymeric dielectric materials used for capacitive energy storage.

  4. Effective permittivity and permeability of one-dimensional dielectric photonic crystal within a band gap

    Institute of Scientific and Technical Information of China (English)

    Guo Ji-Yong; Chen Hong; Li Hong-Qiang; Zhang Ye-Wen

    2008-01-01

    We take a finite dielectric photonic crystal as a homogeneous slab and have extracted the effective parameters. Our systematic study shows that the effective permittivity or permeability of dielectric photonic crystal is negative within a band gap region. This means that the band gap might act as ε-negative materials (ENMs) with ε0, or μ-negative materials (MNMs) with ε>0 and μ<0. Moreover the effective parameters sensitively rely on size, surface termination, symmetry, etc. The effective parameters can be used to design full transmission tunnelling modes and amplify evanescent wave. Several cases are studied and the results show that dielectric photonic band gap can indeed mimic a single negative material (ENM or MNM) under some restrictions.

  5. Experimental Work With Photonic Band Gap Fiber: Building A Laser Electron Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Lincoln, Melissa; Ischebeck, Rasmus; Nobel, Robert; Siemann, Robert; /SLAC

    2006-09-29

    In the laser acceleration project E-163 at the Stanford Linear Accelerator Center, work is being done toward building a traveling wave accelerator that uses as its accelerating structure a length of photonic band gap fiber. The small scale of the optical fiber allows radiation at optical wavelengths to be used to provide the necessary accelerating energy. Optical wavelength driving energy in a small structure yields higher accelerating fields. The existence of a speed-of-light accelerating mode in a photonic band gap fiber has been calculated previously [1]. This paper presents an overview of several of the experimental challenges posed in the development of the proposed photonic band gap fiber accelerator system.

  6. Wavelet-based method for computing elastic band gaps of one-dimensional phononic crystals

    Institute of Scientific and Technical Information of China (English)

    YAN; ZhiZhong; WANG; YueSheng

    2007-01-01

    A wavelet-based method was developed to compute elastic band gaps of one-dimensional phononic crystals. The wave field was expanded in the wavelet basis and an equivalent eigenvalue problem was derived in a matrix form involving the adaptive computation of integrals of the wavelets. The method was then applied to a binary system. For comparison, the elastic band gaps of the same one-di- mensional phononic crystals computed with the wavelet method and the well- known plane wave expansion (PWE) method are both presented in this paper. The numerical results of the two methods are in good agreement while the computation costs of the wavelet method are much lower than that of PWE method. In addition, the adaptability of wavelets makes the method possible for efficient band gap computation of more complex phononic structures.

  7. Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory.

    Science.gov (United States)

    Tran, Fabien; Blaha, Peter

    2017-05-04

    Recently, exchange-correlation potentials in density functional theory were developed with the goal of providing improved band gaps in solids. Among them, the semilocal potentials are particularly interesting for large systems since they lead to calculations that are much faster than with hybrid functionals or methods like GW. We present an exhaustive comparison of semilocal exchange-correlation potentials for band gap calculations on a large test set of solids, and particular attention is paid to the potential HLE16 proposed by Verma and Truhlar. It is shown that the most accurate potential is the modified Becke-Johnson potential, which, most noticeably, is much more accurate than all other semilocal potentials for strongly correlated systems. This can be attributed to its additional dependence on the kinetic energy density. It is also shown that the modified Becke-Johnson potential is at least as accurate as the hybrid functionals and more reliable for solids with large band gaps.

  8. Quantum speedup of an atom coupled to a photonic-band-gap reservoir

    Science.gov (United States)

    Wu, Yu-Nan; Wang, Jing; Zhang, Han-Zhuang

    2017-01-01

    For a model of an atom embedded in a photonic-band-gap reservoir, it was found that the speedup of quantum evolution is subject to the atomic frequency changes. In this work, we propose different points of view on speeding up the evolution. We show that the atomic embedded position, the width of the band gap and the defect mode also play an important role in accelerating the evolution. By changing the embedded position of the atom and the coupling strength with the defect mode, the speedup region lies even outside the band-gap region, where the non-Markovian effect is weak. The mechanism for the speedup is due to the interplay of atomic excited population and the non-Markovianity. The feasible experimental system composed of quantum dots in the photonic crystal is discussed. These results provide new degree of freedoms to depress the quantum speed limit time in photonic crystals.

  9. Width and Crystal Orientation Dependent Band Gap Renormalization in Substrate-Supported Graphene Nanoribbons.

    Science.gov (United States)

    Kharche, Neerav; Meunier, Vincent

    2016-04-21

    The excitation energy levels of two-dimensional (2D) materials and their one-dimensional (1D) nanostructures, such as graphene nanoribbons (GNRs), are strongly affected by the presence of a substrate due to the long-range screening effects. We develop a first-principles approach combining density functional theory (DFT), the GW approximation, and a semiclassical image-charge model to compute the electronic band gaps in planar 1D systems in weak interaction with the surrounding environment. Application of our method to the specific case of GNRs yields good agreement with the range of available experimental data and shows that the band gap of substrate-supported GNRs are reduced by several tenths of an electronvolt compared to their isolated counterparts, with a width and orientation-dependent renormalization. Our results indicate that the band gaps in GNRs can be tuned by controlling screening at the interface by changing the surrounding dielectric materials.

  10. 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.

  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)

    2001-06-27

    Over the last ten years, photonic band gap (PBG) theory and technology have become an important area of research because of the numerous possible applications ranging from high-efficiency laser diodes to optical circuitry. This research concentrates on reducing the length scale in the fabrication of layered photonic band gap structures and developing procedures to improve processing consistency. Various procedures and materials have been used in the fabrication of layered PBG structures. This research focused on an economical micro transfer molding approach to create the final PBG structure. A poly dimethylsiloxane (PDMS) rubber mold was created from a silicon substrate. It was filled with epoxy and built layer-by-layer to create a 3-D epoxy structure. This structure was infiltrated with nanoparticle titania or a titania sol-gel, then fired to remove the polymer mold, leaving a monolithic ceramic inverse of the epoxy structure. The final result was a lattice of titania rolds that resembles a face-centered tetragonal structure. The original intent of this research was to miniaturize this process to a bar size small enough to create a photonic band gap for wavelengths of visible electro-magnetic radiation. The factor limiting progress was the absence of a silicon master mold of small enough dimensions. The Iowa State Microelectronics Research Center fabricated samples with periodicities of 2.5 and 1.0 microns with the existing technology, but a sample was needed on the order of 0.3 microns or less. A 0.4 micron sample was received from Sandia National Laboratory, which was made through an electron beam lithography process, but it contained several defects. The results of the work are primarily from the 2.5 and 1.0 micron samples. Most of the work focused on changing processing variables in order to optimize the infiltration procedure for the best results. Several critical parameters were identified, ranging from the ambient conditions to the specifics of the

  12. Robust topology optimization of three-dimensional photonic-crystal band-gap structures

    CERN Document Server

    Men, Han; Freund, Robert M; Peraire, Jaime; Johnson, Steven G

    2014-01-01

    We perform full 3D topology optimization (in which "every voxel" of the unit cell is a degree of freedom) of photonic-crystal structures in order to find optimal omnidirectional band gaps for various symmetry groups, including fcc (including diamond), bcc, and simple-cubic lattices. Even without imposing the constraints of any fabrication process, the resulting optimal gaps are only slightly larger than previous hand designs, suggesting that current photonic crystals are nearly optimal in this respect. However, optimization can discover new structures, e.g. a new fcc structure with the same symmetry but slightly larger gap than the well known inverse opal, which may offer new degrees of freedom to future fabrication technologies. Furthermore, our band-gap optimization is an illustration of a computational approach to 3D dispersion engineering which is applicable to many other problems in optics, based on a novel semidefinite-program formulation for nonconvex eigenvalue optimization combined with other techniq...

  13. Photoemission and density functional theory study of Ir(111); energy band gap mapping.

    Science.gov (United States)

    Pletikosić, I; Kralj, M; Sokčević, D; Brako, R; Lazić, P; Pervan, P

    2010-04-07

    We have performed combined angle-resolved photoemission spectroscopy (ARPES) experiments and density functional theory (DFT) calculations of the electronic structure of the Ir(111) surface, with the focus on the existence of energy band gaps. The investigation was motivated by the experimental results suggesting Ir(111) as an ideal support for the growth of weakly bonded graphene. Therefore, our prime interest was electronic structure around the [Formula: see text] symmetry point. In accordance with DFT calculations, ARPES has shown a wide energy band gap with the shape of a parallelogram centred around the [Formula: see text] point. Within the gap three surface states were identified; one just below the Fermi level and two spin-orbit split surface states at the bottom of the gap.

  14. All-optical ultrafast switching of Si woodpile photonic band gap crystals

    CERN Document Server

    Euser, T G; Fleming, J G; Gralak, B; Polman, Albert; Vos, W L; Euser, Tijmen G.; Molenaar, Adriaan J.; Gralak, Boris; Polman, Albert; Vos, Willem L.

    2006-01-01

    We present ultrafast all-optical switching measurements of Si woodpile photonic band gap crystals at telecom frequencies. The crystals are homogeneously excited by a two-photon process. We probe the switching by measuring reflectivity over broad frequency ranges as a function of time. At short delay times, we observe that the photonic gap becomes narrower than in the unswitched case. After 1 ps, the complete gap has shifted to higher frequencies. This intricate behavior is the result of competing refractive index changes due to the electronic Kerr effect and to optically excited free carriers. The frequency shift of the band gap as a function of pump intensity agrees well with Fourier modal method calculations with no freely adjustable parameters.

  15. Acoustic band gaps in two-dimensional square arrays of semi-hollow circular cylinders

    Institute of Scientific and Technical Information of China (English)

    LU TianJian; GAO GuoQin; MA ShouLin; JIN Feng; T.Kim

    2009-01-01

    Concave surfaces focus sound while convex surfaces disperse sound. It is therefore interesting to know if it is possible to make use of these two opposite characteristics to enhance the band gap per-formance of periodic arrays of solid cylinders in air. In this paper, the band gap characteristics of a 2-D square array of semi-hollow circular cylinders embedded in air are investigated, both experimentally and theoretically. In comparison with the types of inclusion studied by previous researchers, a semi-hollow circular cylinder is unique in the sense that it has concave inner surfaces and convex outer surfaces. The finite difference time domain (FDTD) method is employed to study the propagation behavior of sound across the new phononic crystal of finite extent, and the influences of sample size and inclusion orientation on band gap characteristics are quantified in order to obtain the maximum band gap. For reference, the band gap behaviors of solid circular cylinder/air and hollow circular cyl-inder/air systems are considered and compared with those of semi-hollow circular cylinder/air systems. In addition to semi-hollow circular cylinders, other inclusion topologies such as semi-hollow triangular and square cylinders are also investigated. To validate the theoretical predictions, experimental meas-urements on square arrays of hollow AI cylinders in air and semi-hollow AI cylinders in air are carried out. The results demonstrate that the semi-hollow circular cylinder/air system has the best overall band gap performance.

  16. An efficient method of DFT/LDA band-gap correction

    Science.gov (United States)

    Scharoch, Pawel; Winiarski, Maciej

    2013-12-01

    It has been shown that the underestimated by DFT/LDA(GGA) band-gap can be efficiently corrected by an averaging procedure of transition energies over a region close to the direct band-gap transition, which we call the Δ(EIG) method (the differences in the Kohn-Sham eigenvalues). For small excitations the averaging appears to be equivalent to the Δ(SCF) approach (differences in the self-consistent energies), which is a consequence of Janak’s theorem and has been confirmed numerically. The Gaussian distribution in k-space for electronic excitation has been used (occupation numbers in the Δ(SCF) or eigenenergy sampling in the Δ(EIG)). A systematic behavior of the k-space localization parameter σk correcting the band-gap has been observed in numerical experiments. On that basis some sampling schemes for band-gap correction have been proposed and tested in the prediction of the band-gap behavior in InxGa(1-x)N semiconducting alloy, and a very good agreement with independent calculations has been obtained. In the context of the work the issue of electron localization in the r-space has been discussed which, as it has been predicted by Mori-Sánchez et al. [P. Mori-Sánchez, A.J. Cohen, W. Yang, Phys. Rev. Lett. 100 (2008) 146401], should reduce the effect of the convex behavior of the LDA/GGA functionals and improve the band-gap prediction within DFT/LDA(GGA). A scheme for electron localization in r-space has been suggested.

  17. Effects of defects and doping on wide band gap ferromagnetic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Pearton, S.J.; Abernathy, C.R.; Thaler, G.T.; Frazier, R.; Ren, F.; Hebard, A.F.; Park, Y.D.; Norton, D.P.; Tang, W.; Stavola, M.; Zavada, J.M.; Wilson, R.G

    2003-12-31

    Both ion implantation and epitaxial crystal growth provide convenient methods of introducing transition metals such as Mn,Cr,Fe,Ni and Co into GaN, GaP, SiC and ZnO for creating dilute magnetic semiconductors exhibiting room temperature ferromagnetism. In this paper we review progress in wide band gap ferromagnetic semiconductors and the role of defects and doping on the resulting magnetic properties.

  18. Band gap and conductivity variations of ZnO thin films by doping with Aluminium

    Science.gov (United States)

    Vattappalam, Sunil C.; Thomas, Deepu; T, Raju Mathew; Augustine, Simon; Mathew, Sunny

    2015-02-01

    Zinc Oxide thin films were prepared by Successive Ionic layer adsorption and reaction technique(SILAR). Aluminium was doped for different doping concentrations from 3 at.% to 12 at.% in steps of 3 at.%. Conductivity of the samples were taken at different temperatures. UV Spectrograph of the samples were taken and the band gap of each sample was found from the data. It was observed that as the doping concentration of Aluminium increases, the band gap of the samples decreases and concequently conductivity of the samples increases.

  19. Band gap and conductivity variations of ZnO nano structured thin films annealed under Vacuum

    Science.gov (United States)

    Vattappalam, Sunil C.; Thomas, Deepu; T, Raju Mathew; Augustine, Simon; Mathew, Sunny

    2015-02-01

    Zinc Oxide thin films were prepared by Successive Ionic layer adsorption and reaction technique(SILAR). The samples were annealed under vacuum and conductivity of the samples were taken at different temperatures. UV Spectrograph of the samples were taken and the band gap of each sample was found from the data. All the results were compared with that of the sample annealed under air. It was observed that the band gap decreases and concequently conductivity of the samples increases when the samples are annealed under vacuum.

  20. Crystal structure and band gap of AlGaAsN

    Science.gov (United States)

    Munich, D. P.; Pierret, R. F.

    1987-09-01

    Quantum dielectric theory is applied to the quaternary alloy Al xGa 1- xAs 1- yN y to predict its electronic properties as a function of Al and N mole fractions. Results are presented for the expected crystal structure, minimum electron energy band gap, and direction in k-space of the band gap minimum for all x and y values. The results suggest that, for a proper choice of x and y, Al xGa 1- xAs 1- yN y could exhibit certain advantages over Al xGa 1- xAs when utilized in field-effect transistor structures.

  1. Enhanced third-harmonic generation in photonic crystals at band-gap pumping

    Science.gov (United States)

    Yurchenko, Stanislav O.; Zaytsev, Kirill I.; Gorbunov, Evgeny A.; Yakovlev, Egor V.; Zotov, Arsen K.; Masalov, Vladimir M.; Emelchenko, Gennadi A.; Gorelik, Vladimir S.

    2017-02-01

    More than one order enhancement of third-harmonic generation is observed experimentally at band-gap pumping of globular photonic crystals. Due to a lateral modulation of the dielectric permittivity in two- and three-dimensional photonic crystals, sharp peaks of light intensity (light localization) arise in the media at the band-gap pumping. The light localization enhances significantly the nonlinear light conversion, in particular, third-harmonic generation, in the near-surface volume of photonic crystal. The observed way to enhance the nonlinear conversion can be useful for creation of novel compact elements of nonlinear and laser optics.

  2. 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

  3. Band Gap Narrowing and Widening of ZnO Nanostructures and Doped Materials

    OpenAIRE

    2015-01-01

    Band gap change in doped ZnO is an observed phenomenon that is very interesting from the fundamental point of view. This work is focused on the preparation of pure and single phase nanostructured ZnO and Cu as well as Mn-doped ZnO for the purpose of understanding the mechanisms of band gap narrowing in the materials. ZnO, Zn0.99Cu0.01O and Zn0.99Mn0.01O materials were prepared using a wet chemistry method, and X-ray diffraction (XRD) results showed that all samples were pure and single phase....

  4. Single-Crystal Semiconductors with Narrow Band Gaps for Solar Water Splitting.

    Science.gov (United States)

    Wang, Tuo; Gong, Jinlong

    2015-09-07

    Solar water splitting provides a clean and renewable approach to produce hydrogen energy. In recent years, single-crystal semiconductors such as Si and InP with narrow band gaps have demonstrated excellent performance to drive the half reactions of water splitting through visible light due to their suitable band gaps and low bulk recombination. This Minireview describes recent research advances that successfully overcome the primary obstacles in using these semiconductors as photoelectrodes, including photocorrosion, sluggish reaction kinetics, low photovoltage, and unfavorable planar substrate surface. Surface modification strategies, such as surface protection, cocatalyst loading, surface energetics tuning, and surface texturization are highlighted as the solutions.

  5. Lattice reconfiguration and phononic band-gap adaptation via origami folding

    Science.gov (United States)

    Thota, M.; Li, S.; Wang, K. W.

    2017-02-01

    We introduce a framework of utilizing origami folding to redistribute the inclusions of a phononic structure to achieve significant phononic band-gap adaptation. Cylindrical inclusions are attached to the vertices of a Miura-Ori sheet, whose 1 degree-of-freedom rigid folding can enable fundamental reconfigurations in the underlying periodic architecture via switching between different Bravais lattice types. Such a reconfiguration can drastically change the wave propagation behavior in terms of band gap and provide a scalable and practical means for broadband wave tailoring.

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

    Science.gov (United States)

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

    1996-02-01

    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 are calculated. The polytypic superlattices are assumed to be stackings of differently sized and orientated cubic SiC segments. The empirical Choyke-Hamilton-Patrick relation is understood and deviating trends for small hexagonalities and rhombohedral modifications are predicted.

  7. Optical band gap of Sn0.2Bi1.8Te3 thin films

    Indian Academy of Sciences (India)

    P H Soni; M V Hathi; C F Desai

    2003-12-01

    Sn0.2Bi1.8Te3 thin films were grown using the thermal evaporation technique on a (001) face of NaCl crystal as a substrate at room temperature. The optical absorption was measured in the wave number range 500–4000 cm-1. From the optical absorption data the band gap was evaluated and studied as a function of film thickness and deposition temperature. The data indicate absorption through direct interband transition with a band gap of around 0.216 eV. The detailed results are reported here.

  8. Semiconducting graphene nanoribbon retains band gap on amorphous or crystalline SiO_2

    OpenAIRE

    Hossain, M. Zubaer

    2011-01-01

    Electronic properties of a semiconducting armchair graphene nanoribbon on SiO_2 are examined using first-principles calculations and taking into account the van der Waals interaction. Unlike semiconducting carbon nanotubes, which exhibit variations in band gap on SiO_2, the nanoribbon is found to retain its band gap on SiO_2, regardless of the separation distance or the dielectric’s surface type—crystalline or amorphous. The interfacial interaction leads to electron-transfer from the nanor...

  9. Tuning the light emission properties by band gap engineering in hybrid lead halide perovskite.

    Science.gov (United States)

    D'Innocenzo, Valerio; Srimath Kandada, Ajay Ram; De Bastiani, Michele; Gandini, Marina; Petrozza, Annamaria

    2014-12-24

    We report about the relationship between the morphology and luminescence properties of methylammonium lead trihalide perovskite thin films. By tuning the average crystallite dimension in the film from tens of nanometers to a few micrometers, we are able to tune the optical band gap of the material along with its photoluminescence lifetime. We demonstrate that larger crystallites present smaller band gap and longer lifetime, which correlates to a smaller radiative bimolecular recombination coefficient. We also show that they present a higher optical gain, becoming preferred candidates for the realization of CW lasing devices.

  10. Band gap and structure characterization of Tm2O3 films

    Institute of Scientific and Technical Information of China (English)

    WANG Jianjun; JI Ting; ZHU Yanyan; FANG Zebo; REN Weiyi

    2012-01-01

    Single crystalline Tm2O3 films were grown on Si (001) substrates by molecular beam epitaxy using metallic Tm source and atomic oxygen source.X-ray photoelectron spectroscopy,atomic force microscopy and high-resolution transmission electron microscopy were employed to investigate the compositions,surface morphology and microstructure of the sample.A very flat surface with a root mean square roughness of 0.3 nm could be reached,and a sharp interface between the film and the Si substrate was achieved.The result of optical spectrum at ultraviolet and visible wavelengths showed that the band gap of the Tm2O3 film was 5.76 eV.

  11. Observation of Wakefield Suppression in a Photonic-Band-Gap Accelerator Structure.

    Science.gov (United States)

    Simakov, Evgenya I; Arsenyev, Sergey A; Buechler, Cynthia E; Edwards, Randall L; Romero, William P; Conde, Manoel; Ha, Gwanghui; Power, John G; Wisniewski, Eric E; Jing, Chunguang

    2016-02-12

    We report experimental observation of higher order mode (HOM) wakefield suppression in a room-temperature traveling-wave photonic-band-gap (PBG) accelerating structure at 11.700 GHz. It has been long recognized that PBG structures have the potential for reducing long-range wakefields in accelerators. The first ever demonstration of acceleration in a room-temperature PBG structure was conducted in 2005. Since then, the importance of PBG accelerator research has been recognized by many institutions. However, the full experimental characterization of the wakefield spectrum and demonstration of wakefield suppression when the accelerating structure is excited by an electron beam has not been performed to date. We conducted an experiment at the Argonne Wakefield Accelerator test facility and observed wakefields excited by a single high charge electron bunch when it passes through a PBG accelerator structure. Excellent HOM suppression properties of the PBG accelerator were demonstrated in the beam test.

  12. Pushing the Gradient Limitations of Superconducting Photonic Band Gap Structure Cells

    Energy Technology Data Exchange (ETDEWEB)

    Simakov, Evgenya I. [Los Alamos National Laboratory; Haynes, William B. [Los Alamos National Laboratory; Kurennoy, Sergey S. [Los Alamos National Laboratory; Shchegolkov, Dmitry [Los Alamos National Laboratory; O' Hara, James F. [Los Alamos National Laboratory; Olivas, Eric R. [Los Alamos National Laboratory

    2012-06-07

    Superconducting photonic band gap resonators present us with unique means to place higher order mode couples in an accelerating cavity and efficiently extract HOMs. An SRF PBG resonator with round rods was successfully tested at LANL demonstrating operation at 15 MV/m. Gradient in the SRF PBG resonator was limited by magnetic quench. To increase the quench threshold in PBG resonators one must design the new geometry with lower surface magnetic fields and preserve the resonator's effectiveness for HOM suppression. The main objective of this research is to push the limits for the high-gradient operation of SRF PBG cavities. A NCRF PBG cavity technology is established. The proof-of-principle operation of SRF PBG cavities is demonstrated. SRF PBG resonators are effective for outcoupling HOMs. PBG technology can significantly reduce the size of SRF accelerators and increase brightness for future FELs.

  13. The scaling of the effective band gaps in indium-arsenide quantum dots and wires.

    Science.gov (United States)

    Wang, Fudong; Yu, Heng; Jeong, Sohee; Pietryga, Jeffrey M; Hollingsworth, Jennifer A; Gibbons, Patrick C; Buhro, William E

    2008-09-23

    Colloidal InAs quantum wires having diameters in the range of 5-57 nm and narrow diameter distributions are grown from Bi nanoparticles by the solution-liquid-solid (SLS) mechanism. The diameter dependence of the effective band gaps (DeltaE(g)s) in the wires is determined from photoluminescence spectra and compared to the experimental results for InAs quantum dots and rods and to the predictions of various theoretical models. The DeltaE(g) values for InAs quantum dots and wires are found to scale linearly with inverse diameter (d(-1)), whereas the simplest confinement models predict that DeltaE(g) should scale with inverse-square diameter (d(-2)). The difference in the observed and predicted scaling dimension is attributed to conduction-band nonparabolicity induced by strong valence-band-conduction-band coupling in the narrow-gap InAs semiconductor.

  14. Local density of optical states in the band gap of a finite photonic crysta

    CERN Document Server

    Yeganegi, Elahe; Mosk, Allard P; 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 a new 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 crystal. As a result, we arrive at a model for the LDOS that is in two major items modified compared to the well-known expression for infinite crystals. Firstly, we modify the Dirac delta functions to become Lorentzians with a width set by the crystal size. Secondly, building on characterization of the fields versus frequency and position we calculated the fields in the band gap. We start from the fields at the band edges, interpolated in space and position, and incorporating the exponential damping in the band gap. We compare our proposed model to exact calculations in one dimension using the transfer matrix method and find very good agreement. Notably, we find that in finite crystals, the LDOS depends on frequency, on posi...

  15. Plasmonic photosensitization of a wide band gap semiconductor: converting plasmons to charge carriers.

    Science.gov (United States)

    Mubeen, Syed; Hernandez-Sosa, Gerardo; Moses, Daniel; Lee, Joun; Moskovits, Martin

    2011-12-14

    A fruitful paradigm in the development of low-cost and efficient photovoltaics is to dope or otherwise photosensitize wide band gap semiconductors in order to improve their light harvesting ability for light with sub-band-gap photon energies.(1-8) Here, we report significant photosensitization of TiO2 due to the direct injection by quantum tunneling of hot electrons produced in the decay of localized surface-plasmon polaritons excited in gold nanoparticles (AuNPs) embedded in the semiconductor (TiO2). Surface plasmon decay produces electron-hole pairs in the gold.(9-15) We propose that a significant fraction of these electrons tunnel into the semiconductor's conduction band resulting in a significant electron current in the TiO2 even when the device is illuminated with light with photon energies well below the semiconductor's band gap. Devices fabricated with (nonpercolating) multilayers of AuNPs in a TiO2 film produced over 1000-fold increase in photoconductance when illuminated at 600 nm over what TiO2 films devoid of AuNPs produced. The overall current resulting from illumination with visible light is ∼50% of the device current measured with UV (ℏω>Eg band gap) illumination. The above observations suggest that plasmonic nanostructures (which can be fabricated with absorption properties that cover the full solar spectrum) can function as a viable alternative to organic photosensitizers for photovoltaic and photodetection applications.

  16. Dipole-induced band-gap reduction in an inorganic cage.

    Science.gov (United States)

    Lv, Yaokang; Cheng, Jun; Steiner, Alexander; Gan, Lihua; Wright, Dominic S

    2014-02-10

    Metal-doped polyoxotitanium cages are a developing class of inorganic compounds which can be regarded as nano- and sub-nano sized molecular relatives of metal-doped titania nanoparticles. These species can serve as models for the ways in which dopant metal ions can be incorporated into metal-doped titania (TiO2 ), a technologically important class of photocatalytic materials with broad applications in devices and pollution control. In this study a series of cobalt(II)-containing cages in the size range ca. 0.7-1.3 nm have been synthesized and structurally characterized, allowing a coherent study of the factors affecting the band gaps in well-defined metal-doped model systems. Band structure calculations are consistent with experimental UV/Vis measurements of the Tix Oy absorption edges in these species and reveal that molecular dipole moment can have a profound effect on the band gap. The observation of a dipole-induced band-gap decrease mechanism provides a potentially general design strategy for the formation of low band-gap inorganic cages.

  17. Robust topology optimization of three-dimensional photonic-crystal band-gap structures.

    Science.gov (United States)

    Men, H; Lee, K Y K; Freund, R M; Peraire, J; Johnson, S G

    2014-09-22

    We perform full 3D topology optimization (in which "every voxel" of the unit cell is a degree of freedom) of photonic-crystal structures in order to find optimal omnidirectional band gaps for various symmetry groups, including fcc (including diamond), bcc, and simple-cubic lattices. Even without imposing the constraints of any fabrication process, the resulting optimal gaps are only slightly larger than previous hand designs, suggesting that current photonic crystals are nearly optimal in this respect. However, optimization can discover new structures, e.g. a new fcc structure with the same symmetry but slightly larger gap than the well known inverse opal, which may offer new degrees of freedom to future fabrication technologies. Furthermore, our band-gap optimization is an illustration of a computational approach to 3D dispersion engineering which is applicable to many other problems in optics, based on a novel semidefinite-program formulation for nonconvex eigenvalue optimization combined with other techniques such as a simple approach to impose symmetry constraints. We also demonstrate a technique for robust topology optimization, in which some uncertainty is included in each voxel and we optimize the worst-case gap, and we show that the resulting band gaps have increased robustness to systematic fabrication errors.

  18. Electronic structure of the valence band of II--VI wide band gap semiconductor interfaces

    OpenAIRE

    1996-01-01

    In this work we present the electronic band structure for (001)--CdTe interfaces with some other II--VI zinc blende semiconductors. We assume ideal interfaces. We use tight binding Hamiltonians with an orthogonal basis ($s p^3 s^*$). We make use of the well--known Surface Green's Function Matching method to calculate the interface band structure. In our calculation the dominion of the interface is constituted by four atomic layers. We consider here anion--anion interfaces only. We have includ...

  19. Generalized thermoelastic wave band gaps in phononic crystals without energy dissipation

    Science.gov (United States)

    Wu, Ying; Yu, Kaiping; Li, Xiao; Zhou, Haotian

    2016-01-01

    We present a theoretical investigation of the thermoelastic wave propagation in the phononic crystals in the context of Green-Nagdhi theory by taking thermoelastic coupling into account. The thermal field is assumed to be steady. Thermoelastic wave band structures of 3D and 2D are derived by using the plane wave expansion method. For the 2D problem, the anti-plane shear mode is not affected by the temperature difference. Thermoelastic wave bands of the in-plane x-y mode are calculated for lead/silicone rubber, aluminium/silicone rubber, and aurum/silicone rubber phononic crystals. The new findings in the numerical results indicate that the thermoelastic wave bands are composed of the pure elastic wave bands and the thermal wave bands, and that the thermal wave bands can serve as the low boundary of the first band gap when the filling ratio is low. In addition, for the lead/silicone rubber phononic crystals the effects of lattice type (square, rectangle, regular triangle, and hexagon) and inclusion shape (circle, oval, and square) on the normalized thermoelastic bandwidth and the upper/lower gap boundaries are analysed and discussed. It is concluded that their effects on the thermoelastic wave band structure are remarkable.

  20. Bend loss in surface plasmon polariton band-gap structures

    DEFF Research Database (Denmark)

    Bozhevolnyi, S.I.; Volkov, V.S.; Leosson, Kristjan

    2001-01-01

    Using near-field optical microscopy, we investigate propagation of surface plasmon polaritons (SPPs) excited in the wavelength range of 720-830 nm at a corrugated gold-film surface with areas of 200-nm-wide and 45-nm-high scatterers arranged in a 410-nm-period triangular lattice containing line...

  1. Ultrawide low frequency band gap of phononic crystal in nacreous composite material

    Energy Technology Data Exchange (ETDEWEB)

    Yin, J.; Huang, J.; Zhang, S., E-mail: zhangs@dlut.edu.cn; Zhang, H.W.; Chen, B.S.

    2014-06-27

    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.

  2. Relaxation of femtosecond photoexcited electrons in a polar indirect band-gap semiconductor nanoparticle

    Indian Academy of Sciences (India)

    Navinder Singh

    2005-01-01

    A model calculation is given for the energy relaxation of a non-equilibrium distribution of hot electrons (holes) prepared in the conduction (valence) band of a polar indirect band-gap semiconductor, which has been subjected to homogeneous photoexcitation by a femtosecond laser pulse. The model assumes that the pulsed photoexcitation creates two distinct but spatially interpenetrating electron and hole non-equilibrium subsystems that initially relax non-radiatively through the electron (hole)–phonon processes towards the conduction (valence) band minimum (maximum), and finally radiatively through the phonon-assisted electron–hole recombination across the band-gap, which is a relatively slow process. This leads to an accumulation of electrons (holes) at the conduction (valence) band minimum (maximum). The resulting peaking of the carrier density and the entire evolution of the hot electron (hole) distribution has been calculated. The latter may be time resolved by a pump-probe study. The model is particularly applicable to a divided (nanometric) polar indirect band-gap semiconductor with a low carrier concentration and strong electron–phonon coupling, where the usual two-temperature model [1–4] may not be appropriate.

  3. Effect of band gap engineering in anionic-doped TiO2 photocatalyst

    Science.gov (United States)

    Samsudin, Emy Marlina; Abd Hamid, Sharifah Bee

    2017-01-01

    A simple yet promising strategy to modify TiO2 band gap was achieved via dopants incorporation which influences the photo-responsiveness of the photocatalyst. The mesoporous TiO2 was successfully mono-doped and co-doped with nitrogen and fluorine dopants. The results indicate that band gap engineering does not necessarily requires oxygen substitution with nitrogen or/and fluorine, but from the formation of additional mid band and Ti3+ impurities states. The formation of oxygen vacancies as a result of modified color centres and Ti3+ ions facilitates solar light absorption and influences the transfer, migration and trapping of the photo-excited charge carriers. The synergy of dopants in co-doped TiO2 shows better optical properties relative to single N and F doped TiO2 with c.a 0.95 eV band gap reduction. Evidenced from XPS, the synergy between N and F in the co-doped TiO2 uplifts the valence band towards the conduction band. However, the photoluminescence data reveals poorer electrons and holes separation as compared to F-doped TiO2. This observation suggests that efficient solar light harvesting was achievable via N and F co-doping, but excessive defects could act as charge carriers trapping sites.

  4. Relationship between band gap and bond length alternation in organic conjugated polymers

    Science.gov (United States)

    Bredas, J. L.

    1985-04-01

    A description is given of calculations of the evolution of the band gap as a function of geometry in conjugated polymers based on aromatic rings; polyparaphenylene, polypyrrole, polythiophene. The results demonstrate that the gap decreases as a function of increasing quinoid character of the backbone and is thus not minimal in the case of zero bond length alternation, in contrast to the situation found in polyacetylene-like compounds. The consequences of these results are stressed for the understanding of the effects of doping and for the design of new organic polymers with small gaps.

  5. Experimental investigation of photonic band gap in one-dimensional photonic crystals with metamaterials

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yihang, E-mail: eon.chen@yahoo.com.cn [Department of Applied Physics, The Hong Kong Polytechnic University, Kowloon, Hong Kong (China); Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou (China); Wang, Xinggang [Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou (China); Yong, Zehui; Zhang, Yunjuan [Department of Applied Physics, The Hong Kong Polytechnic University, Kowloon, Hong Kong (China); Chen, Zefeng [Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou (China); He, Lianxing; Lee, P.F.; Chan, Helen L.W.; Leung, Chi Wah [Department of Applied Physics, The Hong Kong Polytechnic University, Kowloon, Hong Kong (China); Wang, Yu, E-mail: apywang@inet.polyu.edu.hk [Department of Applied Physics, The Hong Kong Polytechnic University, Kowloon, Hong Kong (China)

    2012-03-19

    Composite right/left-handed transmission lines with lumped element series capacitors and shunt inductors are used to experimentally realize the one-dimensional photonic crystals composed of single-negative metamaterials. The simulated and experimental results show that a special photonic band gap corresponding to zero-effective-phase (zero-φ{sub eff}) may appear in the microwave regime. In contrast to the Bragg gap, by changing the length ratio of the two component materials, the width and depth of the zero-φ{sub eff} gap can be conveniently adjusted while keeping the center frequency constant. Furthermore, the zero-φ{sub eff} gap vanishes when both the phase-matching and impedance-matching conditions are satisfied simultaneously. These transmission line structures provide a good way for realizing microwave devices based on the zero-φ{sub eff} gap. -- Highlights: ► 1D photonic crystals with metamaterials were investigated experimentally. ► Both Bragg gap and zero-φ{sub eff} gap were observed in the microwave regime. ► The width and depth of the zero-φ{sub eff} gap were experimentally adjusted. ► Zero-φ{sub eff} gap was observed to be close when two match conditions were satisfied.

  6. Effect of particle size on band gap and DC electrical conductivity of TiO2 nanomaterial

    Science.gov (United States)

    Avinash, B. S.; Chaturmukha, V. S.; Jayanna, H. S.; Naveen, C. S.; Rajeeva, M. P.; Harish, B. M.; Suresh, S.; Lamani, Ashok R.

    2016-05-01

    Materials reduced to the Nano scale can exhibit different properties compared to what they exhibit on a micro scale, enabling unique applications. When TiO2 is reduced to Nano scale it shows unique properties, of which the electrical aspect is highly important. This paper presents increase in the energy gap and decrease in conductivity with decrease in particle size of pure Nano TiO2 synthesized by hydrolysis and peptization of titanium isopropoxide. Aqueous solution with various pH and peptizing the resultant suspension will form Nano TiO2 at different particle sizes. As the pH of the solution is made acidic reduction in the particle size is observed. And it is confirmed from XRD using Scherer formula and SEM, as prepared samples are studied for UV absorbance, and DC conductivity from room temperature to 400°C. From the tauc plot it was observed, and calculated the energy band gap increases as the particle size decreases and shown TiO2 is direct band gap. From Arrhenius plot clearly we encountered, decrease in the conductivity for the decrease in particle size due to hopping of charge carriers and it is evident that, we can tailor the band gap by varying particle size.

  7. Temperature dependence of band gaps in semiconductors: electron-phonon interaction

    Energy Technology Data Exchange (ETDEWEB)

    Kremer, Reinhard K.; Cardona, M.; Lauck, R. [MPI for Solid State Research, Stuttgart (Germany); Bhosale, J.; Ramdas, A.K. [Physics Dept., Purdue University, West Lafayette, IN (United States); Burger, A. [Fisk University, Dept. of Life and Physical Sciences, Nashville, TN (United States); Munoz, A. [MALTA Consolider Team, Dept. de Fisica Fundamental II, Universidad de La Laguna, Tenerife (Spain); Instituto de Materiales y Nanotecnologia, Universidad de La Laguna, Tenerife (Spain); Romero, A.H. [CINVESTAV, Dept. de Materiales, Unidad Queretaro, Mexico (Mexico); MPI fuer Mikrostrukturphysik, Halle an der Saale (Germany)

    2013-07-01

    We investigate the temperature dependence of the energy gap of several semiconductors with chalcopyrite structure and re-examine literature data and analyze own high-resolution reflectivity spectra in view of our new ab initio calculations of their phonon properties. This analysis leads us to distinguish between materials with d-electrons in the valence band (e.g. CuGaS{sub 2}, AgGaS{sub 2}) and those without d-electrons (e.g. ZnSnAs{sub 2}). The former exhibit a rather peculiar non-monotonic temperature dependence of the energy gap which, so far, has resisted cogent theoretical description. We demonstrate it can well be fitted by including two Bose-Einstein oscillators with weights of opposite sign leading to an increase at low-T and a decrease at higher T's. We find that the energy of the former correlates well with characteristic peaks in the phonon density of states associated with low-energy vibrations of the d-electron constituents.

  8. 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.

  9. Nature of the band gap and origin of the conductivity of PbO2 revealed by theory and experiment.

    Science.gov (United States)

    Scanlon, David O; Kehoe, Aoife B; Watson, Graeme W; Jones, Martin O; David, William I F; Payne, David J; Egdell, Russell G; Edwards, Peter P; Walsh, Aron

    2011-12-09

    Lead dioxide has been used for over a century in the lead-acid battery. Many fundamental questions concerning PbO2 remain unanswered, principally: (i) is the bulk material a metal or a semiconductor, and (ii) what is the source of the high levels of conductivity? We calculate the electronic structure and defect physics of PbO2, using a hybrid density functional, and show that it is an n-type semiconductor with a small indirect band gap of ∼0.2  eV. The origin of electron carriers in the undoped material is found to be oxygen vacancies, which forms a donor state resonant in the conduction band. A dipole-forbidden band gap combined with a large carrier induced Moss-Burstein shift results in a large effective optical band gap. The model is supported by neutron diffraction, which reveals that the oxygen sublattice is only 98.4% occupied, thus confirming oxygen substoichiometry as the electron source.

  10. 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.

  11. Band gap and defect states of MgO thin films investigated using 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, S. Korea, 443-803 (Korea, Republic of); College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746, S. Korea (Korea, Republic of); Cho, Eunseog [CAE Group, Samsung Advanced Institute of Technology, 130, Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, S. Korea, 443-803 (Korea, Republic of); Lee, Hyung-Ik; Park, Gyeong Su [Analytical Engineering Group, Samsung Advanced Institute of Technology, 130, Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, S. Korea, 443-803 (Korea, Republic of); Kang, Hee Jae [Department of Physics, Chungbuk National University, Cheongju, S. Korea (Korea, Republic of); Nagatomi, T. [Analysis & Simulation Center, Asahi Kasei Corporation, 2-1 Samejima, Fuji, Shizuoka 416-8501 (Japan); Choi, Pyungho; Choi, Byoung-Deog, E-mail: bdchoi@skku.edu [College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746, S. Korea (Korea, Republic of)

    2015-07-15

    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 (E{sub g}{sup S}) was approximately 6.3 eV. The bulk F center (F{sub B}) 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 F{sub S} and F{sub B}, 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.

  12. Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).

    Science.gov (United States)

    Bugaris, Daniel E; Malliakas, Christos D; Shoemaker, Daniel P; Do, Dat T; Chung, Duck Young; Mahanti, Subhendra D; Kanatzidis, Mercouri G

    2014-09-15

    Using metal fluxes, crystals of the binary osmium dipnictides OsPn2 (Pn = P, As, Sb) have been grown for the first time. Single-crystal X-ray diffraction confirms that these compounds crystallize in the marcasite structure type with orthorhombic space group Pnnm. The structure is a three-dimensional framework of corner- and edge-sharing OsPn6 octahedra, as well as [Pn2(4-)] anions. Raman spectroscopy shows the presence of P-P single bonds, consistent with the presence of [Pn2(-4)] anions and formally Os(4+) cations. Optical-band-gap and high-temperature electrical resistivity measurements indicate that these materials are narrow-band-gap semiconductors. The experimentally determined Seebeck coefficients reveal that nominally undoped OsP2 and OsSb2 are n-type semiconductors, whereas OsAs2 is p-type. Electronic band structure using density functional theory calculations shows that these compounds are indirect narrow-band-gap semiconductors. The bonding p orbitals associated with the Pn2 dimer are below the Fermi energy, and the corresponding antibonding states are above, consistent with a Pn-Pn single bond. Thermopower calculations using Boltzmann transport theory and constant relaxation time approximation show that these materials are potentially good thermoelectrics, in agreement with experiment.

  13. Energy Dependence and Scaling Property of Localization Length near a Gapped Flat Band

    CERN Document Server

    Ge, Li

    2015-01-01

    Using a tight-binding model for a one-dimensional Lieb lattice, we show that the localization length near a gapped flat band behaves differently from the typical Urbach tail in a band gap: instead of reducing monotonically as the energy E moves away from the flat band energy E_{FB}, the presence of the flat band causes a nonmonotonic energy dependence of the localization length. This energy dependence follows a scaling property when the energy is within the spread (W) of uniformly distributed diagonal disorder, i.e. the localization length is only a function of (E-E_{FB})/W. Several other lattices are compared to distinguish the effect of the flat band on the localization length, where we eliminate, shift, or duplicate the flat band, without changing the dispersion relations of other bands. Using the top right element of the Green's matrix, we derive an analytical relation between the density of states and the localization length, which shines light on these properties of the latter, including a summation rul...

  14. Nanoscale mapping of optical band gaps using monochromated electron energy loss spectroscopy

    Science.gov (United States)

    Zhan, W.; Granerød, C. S.; Venkatachalapathy, V.; Johansen, K. M. H.; Jensen, I. J. T.; Kuznetsov, A. Yu; Prytz, Ø.

    2017-03-01

    Using monochromated electron energy loss spectroscopy in a probe-corrected scanning transmission electron microscope we demonstrate band gap mapping in ZnO/ZnCdO thin films with a spatial resolution below 10 nm and spectral precision of 20 meV.

  15. 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

  16. 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......, and furthermore, of exploiting the strong spin dependence of the system for spintronic applications....

  17. 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...

  18. 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.

  19. OPTICAL BAND GAP AND CONDUCTIVITY MEASUREMENTS OF POLYPYRROLE-CHITOSAN COMPOSITE THIN FILMS

    Institute of Scientific and Technical Information of China (English)

    Mahnaz M.Abdi; H.N.M.Ekramul Mahmud; Luqman Chuah Abdullah; Anuar Kassim; Mohamad Zaki Ab.Rahman; Josephine Liew Ying Chyi

    2012-01-01

    Electrical conductivity and optical properties of polypyrrole-chitosan (PPy-CHI) conducting polymer composites have been investigated to determine the optical transition characteristics and energy band gap of composite films.The two electrode method and Ⅰ-Ⅴ characteristic technique were used to measure the conductivity of the PPy-CHI thin films,and the optical band gap was obtained from their ultraviolet absorption edges.Depending upon experimental parameter,the optical band gap (Eg) was found within 1.30-2.32 eV as estimated from optical absorption data.The band gap of the composite films decreased as the CHI content increased.The room temperature electrical conductivity of PPy-CHI thin films was found in the range of 5.84 × 10-7-15.25 × 10-7 S.cm-1 depending on the chitosan content.The thermogravimetry analysis (TGA)showed that the CHI can improve the thermal stability of PPy-CHI composite films.

  20. Functionally Graded Thermoelectric Material though One Step Band Gap and Dopant Engineering

    DEFF Research Database (Denmark)

    Jensen, Ellen Marie; Borup, Kasper Andersen; Cederkrantz, Daniel

    gradients. It has previously been shown that a large functionally graded thermoelectric single crystal can be synthesized by the Czochralski method (1). Utilizing element gradients inherent to the Czochralski process we have synthesized a Ge1-xSix:B crystal with a continuously varying x, band gap...

  1. Tunable band gap photoluminescence from atomically thin transition-metal dichalcogenide alloys.

    Science.gov (United States)

    Chen, Yanfeng; Xi, Jinyang; Dumcenco, Dumitru O; Liu, Zheng; Suenaga, Kazu; Wang, Dong; Shuai, Zhigang; Huang, Ying-Sheng; Xie, Liming

    2013-05-28

    Band gap engineering of atomically thin two-dimensional (2D) materials is the key to their applications in nanoelectronics, optoelectronics, and photonics. Here, for the first time, we demonstrate that in the 2D system, by alloying two materials with different band gaps (MoS2 and WS2), tunable band gap can be obtained in the 2D alloys (Mo(1-x)W(x)S(2) monolayers, x = 0-1). Atomic-resolution scanning transmission electron microscopy has revealed random arrangement of Mo and W atoms in the Mo(1-x)W(x)S(2) monolayer alloys. Photoluminescence characterization has shown tunable band gap emission continuously tuned from 1.82 eV (reached at x = 0.20) to 1.99 eV (reached at x = 1). Further, density functional theory calculations have been carried out to understand the composition-dependent electronic structures of Mo(1-x)W(x)S(2) monolayer alloys.

  2. Photonic Band Gap Structures with Periodically Arranged Atoms in a Two-Dimensional Photonic Crystal

    Institute of Scientific and Technical Information of China (English)

    LI Zhi-Yu; CHEN Fang; ZHOU Jian-Ying

    2005-01-01

    @@ Linear transmission, reflection and absorption spectra for a new two-dimensional photonic crystal with periodically arranged resonant atoms are examined. Numerical results show that a twin-gap structure with forbidden bands displaced from a non-doped bandgap structure can be produced as a result of atomic polarization. The absorption spectrum is also significantly altered compared to the single atom entity.

  3. Experimental investigation of hollow-core photonic crystal fibers with five photonic band-gaps

    Institute of Scientific and Technical Information of China (English)

    YUAN Jin-hui; HOU Lan-tian; WEI Dong-bin; WANG Hai-yun; ZHOU Gui-yao

    2008-01-01

    The hollow-core photonic crystal fibers (HC-PCFs) with integrity structure have been fabricated with an improved twice stack-and-draw technique. The transmission spectrum shows that five photonic band-gaps within 450-1100 nm have been obtained.And the green light transmission in the HC-PCFs'has been observed remarkably.

  4. Photonic band gap structures for long-range surface plasmon polaritons

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Boltasseva, Alexandra; Søndergaard, Thomas;

    2005-01-01

    -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...

  5. Band-gap manipulations of monolayer graphene by phenyl radical adsorptions: a density functional theory study.

    Science.gov (United States)

    Huang, Lin; Sk, Mahasin Alam; Chen, Peng; Lim, Kok Hwa

    2014-08-25

    Phenyl radical (Ph˙) adsorption on monolayer graphene sheets is used to investigate the band-gap manipulation of graphene through density functional theory. Adsorption of a single Ph˙ on graphene breaks the aromatic π-bond and generates an unpaired electron, which is delocalized to the ortho or para position. Adsorption of a second radical at the ortho or para position saturates the radical by electron pairing and results in semiconducting graphene. Adsorption of a second radical at the ortho position (ortho-ortho pairing) is found to be more favorable than adsorption at the para position (ortho-para pairing), and the ortho-ortho pairing has stronger effects on band-gap opening compared with ortho-para pairing. Adsorption of even numbers of Ph˙ on graphene by ortho-ortho and ortho-para pairings, in general, increases the band gap. Our study shows promise of band-gap manipulation in monolayer graphene by Ph˙ adsorption, leading to potential wider applications of graphene. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. All-optical octave-broad ultrafast switching of Si woodpile photonic band gap crystals

    NARCIS (Netherlands)

    Euser, T.G.; Molenaar, Adriaan J.; Fleming, J.G.; Gralak, Boris; Polman, Albert; Vos, Willem L.

    2008-01-01

    We present ultrafast all-optical switching measurements of Si woodpile photonic band gap crystals. The crystals are spatially homogeneously excited and probed by measuring reflectivity over an octave in frequency (including the telecommunication range) as a function of time. After 300 fs, the

  7. Photonic band gaps in materials with triply periodic surfaces and related tubular structures

    NARCIS (Netherlands)

    Michielsen, K; Kole, JS

    2003-01-01

    We calculate the photonic band gap of triply periodic bicontinuous cubic structures and of tubular structures constructed from the skeletal graphs of triply periodic minimal surfaces. The effect of the symmetry and topology of the periodic dielectric structures on the existence and the characteristi

  8. Band gap engineering in penta-graphene by substitutional doping: first-principles calculations

    Science.gov (United States)

    Berdiyorov, G. R.; Dixit, G.; Madjet, M. E.

    2016-11-01

    Using density functional theory, we study the structure, electronic properties and partial charges of a new carbon allotrope—penta-graphene (PG)—substitutionally doped by Si, B and N. We found that the electronic bandgap of PG can be tuned down to 0.2 eV due to carbon substitutions. However, the value of the band gap depends on the type and location of the dopants. For example, the strongest reduction of the band gap is obtained for Si substitutions on the top (bottom) plane of PG, whereas the substitution in the middle plane of PG has a smaller effect on the band gap of the material. Surface termination with fluorine and hydroxyl groups results in an increase of the band gap together with considerable changes in electronic and atomic partial charge distribution in the system. Our findings, which are robust against the use of different exchange-correlation functionals, indicate the possibility of tuning the bandgap of the material to make it suitable for optoelectronic and photovoltaic applications.

  9. Ultrafast Charge Separation in Low Band-Gap Polymer Blend for Photovoltaics

    Directory of Open Access Journals (Sweden)

    Egelhaaf Hans-J.

    2013-03-01

    Full Text Available We track ultrafast charge dissociation in a particularly promising low-band-gap- polymer:fullerene blend for organic photovoltaics. Impulsive photoexcitation with excess energy leads to a 30-fs formation of an hot charge transfer state, precursor of free carriers.

  10. Surface plasmon polariton band gap structures: implications to integrated plasmonic circuits

    DEFF Research Database (Denmark)

    Bozhevolnyi, S. I.; Volkov, V. S.; Østergaard, John Erland;

    2001-01-01

    Conventional photonic band gap (PBG) structures are composed of regions with periodic modulation of refractive index that do not allow the propagation of electromagnetic waves in a certain interval of wavelengths, i.e., that exhibit the PBG effect. The PBG effect is essentially an interference ph...

  11. Band gap and conductivity evaluation of carbon nanotube with hematite for green ammonia synthesis

    Science.gov (United States)

    Rehman, Zia Ur; Yahya, Noorhana; Shafie, A'fza; Soleimani, Hassan; Alqasim, Bilal Hassan; Irfan, Muhammad; Qureshi, Saima

    2016-11-01

    To understand the change in number of electrons, band gap and total energy in the catalyst simulation was performed using Cambridge Serial Total Energy Package (CASTEP). Two catalyst were taken into consideration namely carbon nanotubes (CNTs) and hematite adjacent with CNTs. The simulation based study of the adsorption of hydrogen and nitrogen with reference to change in number of electron and band-gap of carbon nano tubes and hematite mixed with carbon nanotubes was not reported in literature. For this reason carbon nanotubes band gap for different chirality and number of walls was calculated through simulation. After that simulation for number of electrons, band gap and average total energy of CNTs alone and a mixture hematite with CNTs was performed before and after adsorption of hydrogen and nitrogen. From simulation the number of electrons were found to be doubled for hematite mixed with CNTs and average total energy was also increased as compared to similar parameter for CNTs without hematite. In conclusion the hematite with carbon nanotubes is preferred candidate for ammonia synthesis using magnetic induction method. Ammonia synthesis was done using MIM. Ammonia yield was quantified by Kjaldal method.

  12. Role of Balanced Charge Carrier Transport in Low Band Gap polymer : fullerene Bulk Heterojunction Solar Cells

    NARCIS (Netherlands)

    Kotlarski, Jan D.; Moet, Date J. D.; Blom, Paul W. M.

    2011-01-01

    Lowering of the optical band gap of conjugated polymers in bulk heterojunction solar cells not only leads to an increased absorption but also to an increase of the optimal active layer thickness due to interference effects at longer wavelengths. The increased carrier densities due to the enhanced ab

  13. Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard

    2003-01-01

    The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous dampin...

  14. MoS2-WSe2 Hetero Bilayer: Possibility of Mechanical Strain Induced Band Gap Engineering

    Science.gov (United States)

    Sharma, Munish; Kumar, Ashok; Ahluwalia, P. K.

    2014-03-01

    The tunability of band gap in two-dimensional (2D) hetero-bilayers of MoS2-WSe2 with applied mechanical strains (in-plane and out-of-plane) in two different types of stackings (AA and AB) have been investigated in the framework of density functional theory (DFT). The in-plane biaxial tensile strain is found to reduce electronic band gap monotonically and rendered considered bilayer into metal at 6% of applied strain. The transition pressure required for complete semiconductor-to-metal transition is found to be of 7.89 GPa while tensile strength of the reported hetero-bilayer has been calculated 10 GPa at 25% strain. In case of vertical compression strain, 16 GPa pressure has been calculated for complete semiconductor-to-metal transition. The band-gap deformation potentials and effective masses (electron and hole) have been found to posses strong dependence on the type of applied strain. Such band gap engineering in controlled manner (internal control by composition and external control by applied strain) makes the considered hetero-bilayer as a strong candidate for the application in variety of nano scale devices.

  15. 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 donor–acceptor conjugated polymers for PSCs....

  16. Photonic band gap structures for long-range surface plasmon polaritons

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Boltasseva, Alexandra; Søndergaard, Thomas

    2005-01-01

    -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...... of achieving a full bandgap (in the surface plane) for LR-SPPs are also discussed....

  17. Optical study of the band structure of wurtzite GaP nanowires

    KAUST Repository

    Assali, S.

    2016-07-25

    We investigated the optical properties of wurtzite (WZ) GaP nanowires by performing photoluminescence (PL) and time-resolved PL measurements in the temperature range from 4 K to 300 K, together with atom probe tomography to identify residual impurities in the nanowires. At low temperature, the WZ GaP luminescence shows donor-acceptor pair emission at 2.115 eV and 2.088 eV, and Burstein-Moss band-filling continuum between 2.180 and 2.253 eV, resulting in a direct band gap above 2.170 eV. Sharp exciton α-β-γ lines are observed at 2.140–2.164–2.252 eV, respectively, showing clear differences in lifetime, presence of phonon replicas, and temperature-dependence. The excitonic nature of those peaks is critically discussed, leading to a direct band gap of ∼2.190 eV and to a resonant state associated with the γ-line ∼80 meV above the Γ8C conduction band edge.

  18. Size of the Organic Cation Tunes the Band Gap of Colloidal Organolead Bromide Perovskite Nanocrystals.

    Science.gov (United States)

    Mittal, Mona; Jana, Atanu; Sarkar, Sagar; Mahadevan, Priya; Sapra, Sameer

    2016-08-18

    A few approaches have been employed to tune the band gap of colloidal organic-inorganic trihalide perovskites (OTPs) nanocrystals by changing the halide anion. However, to date, there is no report of electronic structure tuning of perovskite NCs upon changing the organic cation. We report here, for the first time, the room temperature colloidal synthesis of (EA)x(MA)1-xPbBr3 nanocrystals (NCs) (where, x varies between 0 and 1) to tune the band gap of hybrid organic-inorganic lead perovskite NCs from 2.38 to 2.94 eV by varying the ratio of ethylammonium (EA) and methylammonium (MA) cations. The tuning of band gap is confirmed by electronic structure calculations within density functional theory, which explains the increase in the band gap upon going toward larger "A" site cations in APbBr3 NCs. The photoluminescence quantum yield (PLQY) of these NCs lies between 5% to 85% and the average lifetime falls in the range 1.4 to 215 ns. A mixture of MA cations and its higher analog EA cations provide a versatile tool to tune the structural as well as optoelectronic properties of perovskite NCs.

  19. Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard

    2003-01-01

    The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous dampin...

  20. 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.

  1. One-dimensional electromagnetic band gap plasma structure formed by atmospheric pressure plasma inhomogeneities

    Science.gov (United States)

    Babitski, V. S.; Callegari, Th.; Simonchik, L. V.; Sokoloff, J.; Usachonak, M. S.

    2017-08-01

    The ability to use plasma columns of pulse discharges in argon at atmospheric pressure to form a one-dimensional electromagnetic band gap structure (or electromagnetic crystal) in the X-band waveguide is demonstrated. We show that a plasma electromagnetic crystal attenuates a microwave propagation in the stopband more than by 4 orders of magnitude. In order to obtain an effective control of the transmission spectrum comparable with a metallic regular structure, the electron concentration in plasma inhomogeneities should vary within the range from 1014 cm-3 to 1016 cm-3, while gas temperature and mean electron energy must be in the range of 2000 K and 0.5 eV, respectively, to lower electron collision frequency around 1010 s-1. We analyze in detail the time evolution response of the electromagnetic crystal according to the plasma parameters for the duration of the discharge. The interest of using atmospheric pressure discharges is to increase the microwave breakdown threshold in discharge volumes, whereby it becomes possible to perform dynamic control of high power microwaves.

  2. Stable Band-Gaps in Phononic Crystals by Harnessing Hyperelastic Transformation Media

    CERN Document Server

    Liu, Yan; Feng, Xi-Qiao

    2016-01-01

    The band structure in phononic crystals (PCs) is usually affected by the deformations of their soft components. In this work, hyperelastic transformation media is proposed to be integrated in the PCs'design, to achieve stable elastic band-gaps which is independent with finite mechanical deformations. For a one-dimensional (1D) PC, we demonstrate the semi-linear soft component can keep all elastic wave bands unchanged with the external deformation field. While for neo-Hookean soft component, only S-wave bands can be precisely retained. The change of the P-wave bands can be predicted by using a lumped mass method. Numerical simulations are performed to validate our theory predictions and the robustness of the proposed PCs.

  3. Tuning of band gaps for a two-dimensional piezoelectric phononic crystal with a rectangular lattice

    Institute of Scientific and Technical Information of China (English)

    Yize Wang; Fengming Li; Yuesheng Wang; Kikuo Kishimoto; Wenhu Huang

    2009-01-01

    In this paper, the elastic wave propagation in a two-dimensional piezoelectric phononic crystal is studied by considering the mechanic-electric coupling. The gener-alized eigenvalue equation is obtained by the relation of the mechanic and electric fields as well as the Bloch-Floquet the-orem. The band structures of both the in-plane and anti-plane modes are calculated for a rectangular lattice by the plane-wave expansion method. The effects of the lattice constant ratio and the piezoelectricity with different filling fractions are analyzed. The results show that the largest gap width is not always obtained for a square lattice. In some situations, a rectangular lattice may generate larger gaps. The band gap characteristics are influenced obviously by the piezoelectric-ity with the larger lattice constant ratios and the filling frac-tions.

  4. Effect of Microstructure of TiO2 Thin Films on Optical Band Gap Energy

    Institute of Scientific and Technical Information of China (English)

    TIAN Guang-Lei; HE Hong-Bo; SHAO Jian-Da

    2005-01-01

    @@ TiO2 coatings are prepared on fused silica with conventional electron beam evaporation deposition. After annealed at different temperatures for four hours, the spectra and XRD patterns of TiO2 thin film are obtained. XRD patterns reveal that only anatase phase can be observed in TiO2 coatings regardless of the different annealing temperatures, and with the increasing annealing temperature, the grain size gradually increases. The relationship between the energy gap and microstructure of anatase is determined and discussed. The quantum confinement effect is observed that with the increasing grain size of TiO2 thin film, the band gap energy shifts from 3.4eV to 3.21 eV. Moreover, other possible influence of the TiO2 thin-film microstructure, such as surface roughness and thin film absorption, on band gap energy is also expected.

  5. Inter-band phase fluctuations in macroscopic quantum tunneling of multi-gap superconducting Josephson junctions

    Energy Technology Data Exchange (ETDEWEB)

    Asai, Hidehiro, E-mail: hd-asai@aist.go.jp [Electronics and Photonics Research Institute (ESPRIT), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan); Ota, Yukihiro [CCSE, Japan Atomic Energy Agency, Kashiwa, Chiba 277-8587 (Japan); Kawabata, Shiro [Electronics and Photonics Research Institute (ESPRIT), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan); Nori, Franco [CEMS, RIKEN, Wako-shi, Saitama 351-0198 (Japan); Physics Department, University of Michigan, Ann Arbor, MI 48109-1040 (United States)

    2014-09-15

    Highlights: • We study MQT in Josephson junctions composed of multi-gap superconductors. • We derive a formula of the MQT escape rate for multiple phase differences. • We investigate the effect of inter-band phase fluctuation on MQT. • The MQT escape rate is significantly enhanced by the inter-band phase fluctuation. - Abstract: We theoretically investigate macroscopic quantum tunneling (MQT) in a hetero Josephson junction formed by a conventional single-gap superconductor and a multi-gap superconductor. In such Josephson junctions, phase differences for each tunneling channel are defined, and the fluctuation of the relative phase differences appear which is referred to as Josephson–Leggett’s mode. We take into account the effect of the fluctuation in the tunneling process and calculate the MQT escape rate for various junction parameters. We show that the fluctuation of relative phase differences drastically enhances the escape rate.

  6. 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.

  7. Global Evolutionary Algorithms in the Design of Electromagnetic Band Gap Structures with Suppressed Surface Waves Propagation

    Directory of Open Access Journals (Sweden)

    P. Kovacs

    2010-04-01

    Full Text Available The paper is focused on the automated design and optimization of electromagnetic band gap structures suppressing the propagation of surface waves. For the optimization, we use different global evolutionary algorithms like the genetic algorithm with the single-point crossover (GAs and the multi-point (GAm one, the differential evolution (DE and particle swarm optimization (PSO. The algorithms are mutually compared in terms of convergence velocity and accuracy. The developed technique is universal (applicable for any unit cell geometry. The method is based on the dispersion diagram calculation in CST Microwave Studio (CST MWS and optimization in Matlab. A design example of a mushroom structure with simultaneous electromagnetic band gap properties (EBG and the artificial magnetic conductor ones (AMC in the required frequency band is presented.

  8. 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.

  9. Vibration band gaps for elastic metamaterial rods using wave finite element method

    Science.gov (United States)

    Nobrega, E. D.; Gautier, F.; Pelat, A.; Dos Santos, J. M. C.

    2016-10-01

    Band gaps in elastic metamaterial rods with spatial periodic distribution and periodically attached local resonators are investigated. New techniques to analyze metamaterial systems are using a combination of analytical or numerical method with wave propagation. One of them, called here wave spectral element method (WSEM), consists of combining the spectral element method (SEM) with Floquet-Bloch's theorem. A modern methodology called wave finite element method (WFEM), developed to calculate dynamic behavior in periodic acoustic and structural systems, utilizes a similar approach where SEM is substituted by the conventional finite element method (FEM). In this paper, it is proposed to use WFEM to calculate band gaps in elastic metamaterial rods with spatial periodic distribution and periodically attached local resonators of multi-degree-of-freedom (M-DOF). Simulated examples with band gaps generated by Bragg scattering and local resonators are calculated by WFEM and verified with WSEM, which is used as a reference method. Results are presented in the form of attenuation constant, vibration transmittance and frequency response function (FRF). For all cases, WFEM and WSEM results are in agreement, provided that the number of elements used in WFEM is sufficient to convergence. An experimental test was conducted with a real elastic metamaterial rod, manufactured with plastic in a 3D printer, without local resonance-type effect. The experimental results for the metamaterial rod with band gaps generated by Bragg scattering are compared with the simulated ones. Both numerical methods (WSEM and WFEM) can localize the band gap position and width very close to the experimental results. A hybrid approach combining WFEM with the commercial finite element software ANSYS is proposed to model complex metamaterial systems. Two examples illustrating its efficiency and accuracy to model an elastic metamaterial rod unit-cell using 1D simple rod element and 3D solid element are

  10. Electron concentration dependence of optical band gap shift in Ga-doped ZnO thin films by magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yaqin [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Tang, Wu, E-mail: tang@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Zhang, Lan [State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049 (China); Zhao, Junliang [Shanghai Juntech Co. Ltd., 1378 Xingxian Road, Shanghai 201815 (China)

    2014-08-28

    Ga-doped ZnO (GZO) thin films were deposited on glass substrates by a radio frequency magnetron sputtering technique. The optical properties of the deposited GZO films were evaluated using an optical transmission measurement. The optical band gap increased from 3.32 eV to 3.45 eV with the increasing carrier density from 2.0 × 10{sup 20} cm{sup −3} to 3.24 × 10{sup 20} cm{sup −3}. Based on the experimental results, the optical band gap as a function of carrier density is systematically investigated with four available theoretical models taken into consideration. The blueshift of the optical band gap in GZO films can be well interpreted with a complex model which combines the Burstein–Moss effect, the band gap renormalization effect and the nonparabolic nature of conduction band. In addition, the BM contribution is almost offset by the BGR effect in both conduction band and valence band due to the approximate equality between electron and hole effective masses in GZO films with a nonparabolic conduction band. The tunability of optical band gap in GZO thin films by carrier density offers a number of potential advantages in the development of semiconductor optoelectronic devices. - Highlights: • The effects of electron concentration on optical band gap were analyzed. • The measured optical band gap corresponded well with the calculated ones. • The Burstein–Moss (BM) and band gap renormalization (BGR) effects were considered. • Nonparabolic conduction band parameters were used in theoretical analysis. • The BM effect was offset by the BGR effect in both conduction band and valence band.

  11. Theoretical investigation of band-gap and mode characteristics of anti-resonance guiding photonic crystal fibres

    Institute of Scientific and Technical Information of China (English)

    Yuan Jin-Hui; Sang Xin-Zhu; Yu Chong-Xiu; Xin Xiang-Jun; Zhang Jin-Long; Zhou Gui-Yao; Li Shu-Guang; Hou Lan-Tian

    2011-01-01

    With the full-vector plane-wave method (FVPWM) and the full-vector beam propagation method (FVBPM), the dependences of the band-gap and mode characteristics on material index and cladding structure parameter in anti-resonance guiding photonic crystal fibres (ARGPCFs) are sufficiently analysed. An ARGPCF operating in the near-infrared wavelength is shown. The influences of the high index cylinders, glass interstitial apexes and silica structure on the characteristics of band-gaps and modes are deeply investigated. The equivalent planar waveguide theory is used for analysing such an ARGPCF filled by the isotropic materials, and the resonance and the anti-resonance characteristics can be well predicted.

  12. Tuning the band gap of mesoporous Zr-doped TiO2 for effective degradation of pesticide quinalphos.

    Science.gov (United States)

    Goswami, Pallabi; Ganguli, Jatindra Nath

    2013-10-28

    This paper has focused on the synthesis and modification of TiO2 nanomaterial via an acid modified sol-gel process. ZrOCl2 was used as a source of Zr for doping titania. The nanomaterials were characterized by electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, N2 adsorption-desorption isotherms, UV-visible diffuse reflectance spectroscopy, etc. Changes in the band gap of the synthesized nanomaterials were studied with respect to the dopant amount, and the performance of the synthesized nanomaterials was evaluated as a photocatalyst to degrade pesticide quinalphos in aqueous solution under UV light. Anatase TiO2 nanocrystallites with an average size of ca. 8-11 nm were obtained depending on the amount of dopant. The results showed that the amount of dopant significantly altered the band gap as well as the surface properties of the hybrid nanomaterials which resulted in high photocatalytic activity.

  13. Photonic band gap of a graphene-embedded quarter-wave stack

    CERN Document Server

    Fan, Yuancheng; Li, Hongqiang; Chen, Hong; Soukoulis, Costas M

    2013-01-01

    Here, we present a mechanism for tailoring the photonic band structure of a quarter-wave stack without changing its physical periods by embedding conductive sheets. Graphene is utilized and studied as a realistic, two-dimensional conductive sheet. In a graphene-embedded quarter-wave stack, the synergic actions of Bragg scattering and graphene conductance contributions open photonic gaps at the center of the reduced Brillouin zone, that nonexistent in conventional quarter-wave stacks. Such photonic gaps show giant, loss-independent density of optical states at the fixed lower-gap-edges, of even-multiple characteristic frequency of the quarter-wave stack. The novel conductive sheets induced photonic gaps provide a new platform for the enhancement of light-matter interactions.

  14. 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.

  15. Band gap modulation of transition-metal dichalcogenide MX2 nanosheets by in-plane strain

    Science.gov (United States)

    Su, Xiangying; Ju, Weiwei; Zhang, Ruizhi; Guo, Chongfeng; Yong, Yongliang; Cui, Hongling; Li, Xiaohong

    2016-10-01

    The electronic properties of quasi-two-dimensional honeycomb structures of MX2 nanosheets (M=Mo, W and X=S, Se) subjected to in-plane biaxial strain have been investigated using first-principles calculations. We demonstrate that the band gap of MX2 nanosheets can be widely tuned by applying tensile or compressive strain, and these ultrathin materials undergo a universal reversible semiconductor-metal transition at a critical strain. Compared to WX2, MoX2 need a smaller critical tensile strain for the band gap close, and MSe2 need a smaller critical compressive strain than MS2. Taking bilayer MoS2 as an example, the variation of the band structures was studied and the semiconductor-metal transition involves a slightly different physical mechanism between tensile and compressive strain. The ability to tune the band gap of MX2 nanosheets in a controlled fashion over a wide range of energy opens up the possibility for its usage in a range of application.

  16. Photonic bands, gap maps, and intrinsic losses in three-component 2D photonic crystal slabs

    Institute of Scientific and Technical Information of China (English)

    Hongjun Shen; Huiping Tian; Yuefeng Ji

    2009-01-01

    We obtain the photonic bands and intrinsic losses for the triangular lattice three-component two-dimensional (2D) photonic crystal (PhC) slabs by expanding the electromagnetic field on the basis of waveguide modes of an effective homogeneous waveguide. The introduction of the third component into the 2D PhC slabs influences the photonic band structure and the intrinsic losses of the system. We ex-amine the dependences of the band gap width and gap edge position on the interlayer dielectric constant and interlayer thickness. It is found that the gap edges shift to lower frequencies and the intrinsic losses of each band decrease with the increasing interlayer thickness or dielectric constant. During the design of the real PhC system, the effect of unintentional native oxide surface layer on the optical properties of 2D PhC slabs has to be taken into consideration. At the same time, intentional oxidization of macroporous PhC structure can be utilized to optimize the design.

  17. Enhanced thermoelectric performance in the Rashba semiconductor BiTeI through band gap engineering

    Science.gov (United States)

    Wu, Lihua; Yang, Jiong; Zhang, Tiansong; Wang, Shanyu; Wei, Ping; Zhang, Wenqing; Chen, Lidong; Yang, Jihui

    2016-03-01

    Rashba semiconductors are of great interest in spintronics, superconducting electronics and thermoelectrics. Bulk BiTeI is a new Rashba system with a giant spin-split band structure. 2D-like thermoelectric response has been found in BiTeI. However, as optimizing the carrier concentration, the bipolar effect occurs at elevated temperature and deteriorates the thermoelectric performance of BiTeI. In this paper, band gap engineering in Rashba semiconductor BiTeI through Br-substitution successfully reduces the bipolar effect and improves the thermoelectric properties. By utilizing the optical absorption and Burstein-Moss-effect analysis, we find that the band gap in Rashba semiconductor BiTeI increases upon bromine substitution, which is consistent with theoretical predictions. Bipolar transport is mitigated due to the larger band gap, as the thermally-activated minority carriers diminish. Consequently, the Seebeck coefficient keeps increasing with a corresponding rise in temperature, and thermoelectric performance can thus be enhanced with a ZT  =  0.5 at 570 K for BiTeI0.88Br0.12.

  18. An operational method to model carrier degeneracy and band gap narrowing

    Science.gov (United States)

    Adler, M. S.

    1983-05-01

    In this paper an operational method of modeling heavily doped silicon to include effects of carrier degeneracy and band gap narrowing is presented. The issue of carier degeneracy on majority carrier flow is discussed together with the question of the ambiguity in the electrostatic potential associated with identifying which band edge is narrowed. Using an exact numerical analysis of a bipolar transistor as an example it is shown that when modeling carrier flow in quasi-neutral regions, classical statistics can be used for the majority carrier and the ambiguity in the electrostatic potential can be ignored. Overall, it is shown that for the same quasi-neutral heavily doped regions the effects of carrier degeneracy and band gap narrowing are accurately modeled within the context of classical statistics by adding the quasi field term to the minority carrier transport equation that is based on the commonly used "band gap narrowing" data available from measurements of minority carrier transport in heavily doped regions. While it is recognized that this is not rigorously correct the result of this paper is to establish the accuracy for the operational method most commonly used to model heavy doping effects.

  19. Enhanced thermoelectric performance in the Rashba semiconductor BiTeI through band gap engineering.

    Science.gov (United States)

    Wu, Lihua; Yang, Jiong; Zhang, Tiansong; Wang, Shanyu; Wei, Ping; Zhang, Wenqing; Chen, Lidong; Yang, Jihui

    2016-03-01

    Rashba semiconductors are of great interest in spintronics, superconducting electronics and thermoelectrics. Bulk BiTeI is a new Rashba system with a giant spin-split band structure. 2D-like thermoelectric response has been found in BiTeI. However, as optimizing the carrier concentration, the bipolar effect occurs at elevated temperature and deteriorates the thermoelectric performance of BiTeI. In this paper, band gap engineering in Rashba semiconductor BiTeI through Br-substitution successfully reduces the bipolar effect and improves the thermoelectric properties. By utilizing the optical absorption and Burstein-Moss-effect analysis, we find that the band gap in Rashba semiconductor BiTeI increases upon bromine substitution, which is consistent with theoretical predictions. Bipolar transport is mitigated due to the larger band gap, as the thermally-activated minority carriers diminish. Consequently, the Seebeck coefficient keeps increasing with a corresponding rise in temperature, and thermoelectric performance can thus be enhanced with a ZT  =  0.5 at 570 K for BiTeI0.88Br0.12.

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

    Science.gov (United States)

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

    2016-08-01

    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 In2O3 (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 In2O3 single crystals and thin films.

  1. Soluble narrow band gap and blue propylenedioxythiophene-cyanovinylene polymers as multifunctional materials for photovoltaic and electrochromic applications.

    Science.gov (United States)

    Thompson, Barry C; Kim, Young-Gi; McCarley, Tracy D; Reynolds, John R

    2006-10-04

    A family of soluble narrow band gap donor-acceptor conjugated polymers based on dioxythiophenes and cyanovinylenes is reported. The polymers were synthesized using Knoevenagel polycondensation or Yamamoto coupling polymerizations to yield polymers with molecular weights on the order of 10 000-20 000 g/mol, which possess solubility in common organic solvents. Thin film optical measurements revealed narrow band gaps of 1.5-1.8 eV, which gives the polymers a strong overlap of the solar spectrum. The energetic positions of the band edges were determined by cyclic voltammetry and differential pulse voltammetry and demonstrate that the polymers are both air stable and show a strong propensity for photoinduced charge transfer to fullerene acceptors. Such measurements also suggest that the polymers can be both p- and n-type doped, which is supported by spectroelectrochemical results. These polymers have been investigated as electron donors in photovoltaic devices in combination with PCBM ([6,6]-phenyl C(61)-butyric acid methyl ester) as an electron acceptor based on the near ideal band structures designed into the polymers. Efficiencies as high as 0.2% (AM1.5) with short circuit current densities as high as 1.2-1.3 mA/cm(2) have been observed in polymer/PCBM (1:4 by weight) devices and external quantum efficiencies of more than 10% have been observed at wavelengths longer than 600 nm. The electrochromic properties of the narrow band gap polymers are also of interest as the polymers show three accessible color states changing from an absorptive blue or purple in the neutral state to a transmissive sky-blue or gray in the oxidized and reduced forms. The wide electrochemical range of electrochromic activity coupled with the strong observed changes in transmissivity between oxidation states makes these materials potentially interesting for application to electrochromic displays.

  2. 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...

  3. Photonic band-gap engineering for volume plasmon polaritons in multiscale multilayer hyperbolic metamaterials

    CERN Document Server

    Zhukovsky, Sergei V; Babicheva, Viktoriia E; Lavrinenko, Andrei V; Sipe, J E

    2013-01-01

    We theoretically study the propagation of large-wavevector waves (volume plasmon polaritons) in multilayer hyperbolic metamaterials with two levels of structuring. We show that when the parameters of a subwavelength metal-dielectric multilayer ("substructure") are modulated ("superstructured") 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 bands due to Bragg reflection are shown to form within the volume plasmonic band. When a cavity layer is introduced in an otherwise periodic superstructure, resonance peaks of the Fabry-P\\'erot nature are shown to be present within the stop bands. More complicated superstructure geometries are also considered. For example, fractal Cantor-like multiscale metamaterials are found to exhibit characteristic self-similar s...

  4. Tuning band gaps of BN nanosheets and nanoribbons via interfacial dihalogen bonding and external electric field.

    Science.gov (United States)

    Tang, Qing; Bao, Jie; Li, Yafei; Zhou, Zhen; Chen, Zhongfang

    2014-08-07

    Density functional theory computations with dispersion corrections (DFT-D) were performed to investigate the dihalogen interactions and their effect on the electronic band structures of halogenated (fluorinated and chlorinated) BN bilayers and aligned halogen-passivated zigzag BN nanoribbons (BNNRs). Our results reveal the presence of considerable homo-halogen (FF and ClCl) interactions in bilayer fluoro (chloro)-BN sheets and the aligned F (Cl)-ZBNNRs, as well as substantial hetero-halogen (FCl) interactions in hybrid fluoro-BN/chloro-BN bilayer and F-Cl-ZBNNRs. The existence of interfacial dihalogen interactions leads to significant band-gap modifications for the studied BN nanosystems. Compared with the individual fluoro (chloro)-BN monolayers or pristine BNNRs, the gap reduction in bilayer fluoro-BN (B-FF-N array), hybrid fluoro-BN/chloro-BN bilayer (N-FCl-N array), aligned Cl-ZBNNRs (B-ClCl-N alignment), and hybrid F-Cl-ZBNNRs (B-FCl-N alignment) is mainly due to interfacial polarizations, while the gap narrowing in bilayer chloro-BN (N-ClCl-N array) is ascribed to the interfacial nearly-free-electron states. Moreover, the binding strengths and electronic properties of the interactive BN nanosheets and nanoribbons can be controlled by applying an external electric field, and extensive modulation from large-gap to medium-gap semiconductors, or even metals can be realized by adjusting the direction and strength of the applied electric field. This interesting strategy for band gap control based on weak interactions offers unique opportunities for developing BN nanoscale electronic devices.

  5. Development of ultra-narrow gap welding with constrained arc by flux band

    Institute of Scientific and Technical Information of China (English)

    Zhu Liang; Zheng Shaoxian; Chen Jianhong

    2006-01-01

    Narrow gap welding has merits of lower residual stress and distortion, and superior mechanical properties of joints.A major problem of this process is the lack of fusion in sidewalls, hence many methods of weaving arc have been developed to increase heating effect of arc to the sidewalls. In this work, a new approach without weaving arc is attempted to ensure the penetration of sidewall, and ultra-narrow gap welding with the gap of less than 5 mm was executed successfully. In this approach, the width of gap is decreased further, so that the sidewalls are made within range of arc heating to obtain the enough heat. Inorder to prevent the arc from being attracted by sidewall and going up alongthe sidewalls, two pieces of flux bands consisting of the specified aggregates are adhered to the sidewalls to constrain the arc. In addition, when flux band being heated by the arc, slag and gases are formed to shield the arc and the weld pool. This technique was tested on the welding experiment of pipeline steel with thickness of 20 mm. The involved welding parameters were obtained, that is, the width of gap is 4 mm, the welding current 250 A, and the heat input 0. 5 k J/mm, the width of heat-affected zone is 1 - 2mm.

  6. Polarization-induced electrical conductivity in ultra-wide band gap AlGaN alloys

    Science.gov (United States)

    Armstrong, Andrew M.; Allerman, Andrew A.

    2016-11-01

    Unintentionally doped (UID) AlGaN epilayers graded over Al compositions of 80%-90% and 80%-100% were grown by metal organic vapor phase epitaxy and were electrically characterized using contactless sheet resistance (Rsh) and capacitance-voltage (C-V) measurements. Strong electrical conductivity in the UID graded AlGaN epilayers resulted from polarization-induced doping and was verified by the low resistivity of 0.04 Ω cm for the AlGaN epilayer graded over 80%-100% Al mole fraction. A free electron concentration (n) of 4.8 × 1017 cm-3 was measured by C-V for Al compositions of 80%-100%. Average electron mobility ( μ ¯ ) was calculated from Rsh and n data for three ranges of Al composition grading, and it was found that UID AlGaN graded from 88%-96% had μ ¯ = 509 cm2/V s. The combination of very large band gap energy, high μ ¯ , and high n for UID graded AlGaN epilayers make them attractive as a building block for high voltage power electronic devices such as Schottky diodes and field effect transistors.

  7. Design of a second cyclotron harmonic gyrotron oscillator with photonic band-gap cavity

    Energy Technology Data Exchange (ETDEWEB)

    Liu Gaofeng; Chen Xiaoan; Tang Changjian, E-mail: angelchen765@163.com [College of Physical Science and Technology of Sichuan University, Chengdu 610065 (China)

    2011-07-27

    A photonic band-gap cavity (PBGC) gyrotron with a frequency of about 98 GHz is designed. Theoretical analyses and numerical calculations are made for the PBGC operating at fundamental and second cyclotron harmonic with a TE{sub 34} waveguide mode to demonstrate the beam-wave interaction. The results show that mode competition is successfully eliminated in the PBGC using mode selectivity and choosing the appropriate operating parameters. As a result, the second harmonic PBGC gyrotron operating at TE{sub 34} mode achieves a higher output efficiency than that of the fundamental. It is also demonstrated that, in the case of the chosen parameters for TE{sub 34} waveguide mode, the use of PBG structure in the second harmonic gyrotron brings about not only a lower operating B-field but also a weaker mode competition. The results show that the high-order electromagnetic mode can be developed to interact with the high cyclotron harmonic using the selectivity of the PBGC, which gives an encouraging outlook for the development of high-harmonic gyrotrons.

  8. Longitudinal spin relaxation of donor-bound electrons in direct band-gap semiconductors

    Science.gov (United States)

    Linpeng, Xiayu; Karin, Todd; Durnev, M. V.; Barbour, Russell; Glazov, M. M.; Sherman, E. Ya.; Watkins, S. P.; Seto, Satoru; Fu, Kai-Mei C.

    2016-09-01

    We measure the donor-bound electron longitudinal spin-relaxation time (T1) as a function of magnetic field (B ) in three high-purity direct band-gap semiconductors: GaAs, InP, and CdTe, observing a maximum T1 of 1.4, 0.4, and 1.2 ms, respectively. In GaAs and InP at low magnetic field, up to ˜2 T, the spin-relaxation mechanism is strongly density and temperature dependent and is attributed to the random precession of the electron spin in hyperfine fields caused by the lattice nuclear spins. In all three semiconductors at high magnetic field, we observe a power-law dependence T1∝B-ν with 3 ≲ν ≲4 . Our theory predicts that the direct spin-phonon interaction is important in all three materials in this regime in contrast to quantum dot structures. In addition, the "admixture" mechanism caused by Dresselhaus spin-orbit coupling combined with single-phonon processes has a comparable contribution in GaAs. We find excellent agreement between high-field theory and experiment for GaAs and CdTe with no free parameters, however a significant discrepancy exists for InP.

  9. Strong interaction of a transmon qubit with 1D band-gap medium

    Science.gov (United States)

    Liu, Yanbing; Sadri, Darius; Houck, Andrew; Bronn, Nicholas; Chow, Jerry; Gambetta, Jay

    2015-03-01

    The spontaneous emission of an atom will be enhanced or suppressed in a structured vacuum, commonly known as Purcell effect. Moreover, in a frequency gap medium, an atom-photon bound state is predicted to exist in the band gap, causing the localization of light. Here using the technology of circuit quantum electrodynamics, we experimentally explore this mechanism by fabricating a microwave step-impedance filter strongly coupled to a transmon qubit. Standard transmission and spectroscopy measurements support the existence of atom-photon bound states in the system. Correlation measurement shows that the atom-photon interaction induces strong correlation of the transmitted light through the system. Thanks support from IARPA

  10. Image-potential band-gap narrowing at a metal/semiconductor interface

    OpenAIRE

    2001-01-01

    GW approximation is used to systematically revisit the image-potential band-gap narrowing at metal/semiconductor interfaces proposed by Inkson in the 1970's. Here we have questioned how the narrowing as calculated from quasi-particle energy spectra for the jellium/Si interface depends on $r_s$ of the jellium. The gap narrowing is found to only weakly depend on $r_s$ (i.e., narrowing $\\simeq 0.3$ eV even for a large $r_s = 6)$. Hence we can turn to smaller polarizability in the semiconductor s...

  11. 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.

  12. Theoretical aspects of photonic band gap in 1D nano structure of LN: MgLN periodic layer

    Energy Technology Data Exchange (ETDEWEB)

    Sisodia, Namita, E-mail: namitasisodiya@gmail.com [Department of Physics, Holkar Science Collage, Indore-452017 (India)

    2015-06-24

    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.

  13. Band Gap Tailoring of TiO2 Nanowires by Nitrogen Doping Under N2/Ar Plasma Environment.

    Science.gov (United States)

    Dhar, J C; Mondal, A; Bhattacharya, S; Singh, N K; Ngangbam, C; Chattopadhyay, K K

    2015-05-01

    Glancing angle deposited TiO2 nanowires (NWs) were doped with nitrogen (N) using plasma-enhanced chemical vapour deposition technique, under the treatment of N2/Ar plasma. A red shift (- 0.51 eV) in the main band transition and oxygen defect related transition (-2.1 eV) was observed for the N doped TiO2 nanowires. The interstitial nitrogen introduces mid-gap levels N (2P) above the O (2P) in the TiO2 forbidden gap. The photoluminescence measurement revealed a small red shift of -7 nm of anatase band gap from N doped TiO2 nanowires due to radiative recombination of carriers from conduction band to the N (2P) trap state. The low frequency Raman peaks at 304 cm(-1) (acoustical phonons with LA mode), 618 cm(-1) (optical phonons with LO modes) and the high frequency peak at 832 cm(-1) was observed from Ti-O-N due to the partial replacement of oxygen molecules by nitrogen into TiO2, during the doping process.

  14. Effect of Thermal Annealing on the Band GAP and Optical Properties of Chemical Bath Deposited ZnSe Thin Films

    Science.gov (United States)

    Ezema, F. I.; Ekwealor, A. B. C.; Osuji, R. U.

    2006-05-01

    Zinc selenide (ZnSe) thin films were deposited on glass substrate using the chemical bath deposition method at room temperature from aqueous solutions of zinc sulphate and sodium selenosulfate in which sodium hydroxide was employed as complexing agents. The `as-deposited' ZnSe thin films are red in color and annealed in oven at 473 K for 1 hour and on a hot plate in open air at 333 K for 5 minutes, affecting the morphological and optical properties. Optical properties such as absorption coefficient a and extinction coefficient k, were determined using the absorbance and transmission measurement from Unico UV-2102 PC spectrophotometer, at normal incidence of light in the wavelength range of 200-1000 nm. The films have transmittance in VIS-NIR regions that range between 26 and 87%. From absorbance and transmittance spectra, the band gap energy determined ranged between 1.60 eV and 1.75 for the `as deposited' samples, and the annealed samples exhibited a band gap shift of 0.15 eV. The high transmittance of the films together with its large band gap made them good materials for selective coatings for solar cells.

  15. 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.

  16. Effect of a Two-Dimensional Periodic Dielectric Background on Complete Photonic Band Gap in Complex Square Lattices

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yan; SHI Jun-Jie

    2008-01-01

    A two-dimensional photonic crystal model with a periodic square dielectric background is proposed.The photonic band modulation effects due to the two-dimensional periodic background are investigated jn detail.It is found that periodic modulation of the dielectric background greatly alters photonic band structures,especially for the Epolarization modes.The number,width and position of the photonic band gaps sensitively depend on the dielectric constants of the two-dimensional periodic background.Complete band gaps are found,and the dependence of the widths of these gaps on the structural and material parameters of the two alternating rods/holes is studied.

  17. Absolute band gaps of a two-dimensional triangular-lattice dielectric photonic crystal with different shapes

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Absolute band gaps of a two-dimensional triangular-lattice photonic crystal are calculated with the finite-difference time-domain method in this paper.Through calculating the photonic band structures of the triangular-lattice photonic crystal consisting of Ge rods immersed in air with different shapes,it is found that a large absolute band gap of 0.098 (2c/a) can be obtained for the structures with hollow triangular Ge rods immersed in air,corresponding to 19.8% of the middle frequency.The influence of the different factors on the width of the absolute band gaps is also discussed.

  18. Formation of Bragg Band Gaps in Anisotropic Phononic Crystals Analyzed With the Empty Lattice Model

    Directory of Open Access Journals (Sweden)

    Yan-Feng Wang

    2016-05-01

    Full Text Available Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic and anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg “planes” which give rise to phononic band gaps, are generally not flat planes but curved surfaces. The same is found to be the case for avoided crossings between shear (transverse and longitudinal bands in the isotropic case.

  19. BAND GAP EFFECTS IN PERIODIC CHAIN WITH LOCAL LINEAR OR NON-LINEAR OSCILLATORS

    DEFF Research Database (Denmark)

    Lazarov, Boyan Stefanov; Jensen, Jakob Søndergaard

    2007-01-01

    attached linear oscillators. The stop band is located around the resonant frequency of the local oscillators, and thus a stop band can be created in the lower frequency range. In this paper, wave propagation in one-dimensional infinite periodic chains with attached linear and non-linear local oscillators...... within bands of frequencies called stop bands. Stop bands in structures with periodic or random inclusions are located mainly in the high frequency range, as the wave length has to be comparable with the distance between the alternating parts. Wave attenuation is also possible in structures with locally...

  20. Field Dependence of π-Band Superconducting Gap in MgB2 Thin Films from Point-Contact Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    HUANG Yan; XI Xiao-Xing; WANG Yong-Lei; SHAN Lei; JIA Ying; YANG Huan; WEN Hai-Hu; ZHUANG Cheng-Gang; LI Qi; CUI Yi

    2008-01-01

    We present the results of point-contact spectroscopy measurements on high-quality epitaxial MgB2 thin films with injected current along the c-axis. The temperature and field dependences of л-band properties with the field parallel to (H‖) or perpendicular to (H┴ ) the c-axis are investigated in detail. When a magnetic field is applied, either parallel or perpendicular to the c-axis, the density of the quasiparticle state (DOS) of the л-band proliferates quickly with increasing field, while the gap amplitude of the л-band decreases slowly, which is different from the recent theoretical calculations, showing a field dependent competition between the interband scattering and the pair-breaking effects.

  1. Orbital localization, charge transfer, and band gaps in semilocal density-functional theory.

    Science.gov (United States)

    Armiento, R; Kümmel, S

    2013-07-19

    We derive an exchange energy functional of generalized gradient form with a corresponding potential that changes discontinuously at integer particle numbers. The functional is semilocal, yet incorporates key features that are connected to the derivative discontinuity of Kohn-Sham density-functional theory. We validate our construction for several paradigm systems and explain how it addresses central well-known deficiencies of antecedent semilocal methods, i.e., the description of charge transfer, properly localized orbitals, and band gaps. We find, e.g., an improved shell structure for atoms, eigenvalues that more closely correspond to ionization energies, and an improved description of band structure where localized states are lowered in energy.

  2. 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....

  3. Temperature and magnetization-dependent band-gap renormalization and optical many-body effects in diluted magnetic semiconductors

    OpenAIRE

    2005-01-01

    We calculate the Coulomb interaction induced density, temperature and magnetization dependent many-body band-gap renormalization in a typical diluted magnetic semiconductor GaMnAs in the optimally-doped metallic regime as a function of carrier density and temperature. We find a large (about 0.1 eV) band gap renormalization which is enhanced by the ferromagnetic transition. We also calculate the impurity scattering effect on the gap narrowing. We suggest that the temperature, magnetization, an...

  4. The strain induced band gap modulation from narrow gap semiconductor to half-metal on Ti2CrGe: A first principles study

    Directory of Open Access Journals (Sweden)

    Jia Li

    2015-11-01

    Full Text Available The Heusler alloy Ti2CrGe is a stable L21 phase with antiferromagnetic ordering. With band-gap energy (∼ 0.18 eV obtained from a first-principles calculation, it belongs to the group of narrow band gap semiconductor. The band-gap energy decreases with increasing lattice compression and disappears until a strain of −5%; moreover, gap contraction only occurs in the spin-down states, leading to half-metallic character at the −5% strain. The Ti1, Ti2, and Cr moments all exhibit linear changes in behavior within strains of −5%– +5%. Nevertheless, the total zero moment is robust for these strains. The imaginary part of the dielectric function for both up and down spin states shows a clear onset energy, indicating a corresponding electronic gap for the two spin channels.

  5. 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.

  6. Cherenkov oscillator operating at the second band gap of leakage waveguide structures

    Science.gov (United States)

    Jang, Kyu-Ha; Park, Seong Hee; Lee, Kitae; Jeong, Young Uk

    2016-10-01

    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.

  7. 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.

  8. Crystal thickness and sphere dispersion dependence of the photonic band gap of silica colloidal crystals

    Institute of Scientific and Technical Information of China (English)

    Yongjun He(何拥军); Zhongchao Wei(韦中超); Yongchun Zhong(钟永春); Jianwei Diao(刁建伟); Hezhou Wang(汪河洲)

    2004-01-01

    Experimental results demonstrate that the band gap of colloidal suspension crystal changes with both the thickness of crystal and the dispersity of micro-spheres.As the thickness decreases,a red shift of band gap is observed,and there is a maximum of red shift.The values of the maximum red shifts are dependent on the standard deviations of micro-spheres.The experimental results are consistent with theoretical calculation.As the colloidal suspension crystal is assembled from micro-spheres with a standard deviation of 8.4% in a thick cell,an incident angles independent broadband is observed,which is explained as an amorphous structure.Two amorphous models are discussed.

  9. Microwave irradiation induced band gap tuning of MoS2-TiO2 nanocomposites

    Science.gov (United States)

    Shakya, Jyoti; Mohanty, T.

    2016-05-01

    The MoS2-TiO2 nanocomposites have been synthesized by sol-gel method and characterized by different microscopic and spectroscopic techniques. The crystallinity of these nanocomposites has been confirmed by X-ray diffraction (XRD) analysis. The Raman spectrum of MoS2-TiO2 nanocomposites consists of three distinct peaks (E1 g, E1 2g and A1g) which are associated with TiO2 and MoS2. The morphological study is carried out by scanning electron microscope. The effect of microwave irradiation on the band gap of MoS2-TiO2 nanocomposites has been investigated; it is observed that the microwave irradiation causes decrease in the band gap of MoS2-TiO2 nanocomposites. The microwave treated MoS2-TiO2 thin films offers a novel process route in treating thin films for commercial applications.

  10. 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.

  11. Band gap engineering of silicene zigzag nanoribbons with perpendicular electric fields: a theoretical study.

    Science.gov (United States)

    Liang, Yunye; Wang, Vei; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2012-11-14

    The electronic properties of silicene zigzag nanoribbons with the presence of perpendicular fields are studied by using first-principles calculations and the generalized nearest neighboring approximation method. In contrast to the planar graphene, in silicene the Si atoms are not coplanar. As a result, by applying perpendicular fields to the two-dimensional silicene sheet, the on-site energy can be modulated and the band gap at the Dirac point is open. The buckled structure also creates a height difference between the two edges of the silicene zigzag nanoribbons. We find that the external fields can modulate the energies of spin-polarized edge states and their corresponding band gaps. Due to the polarization in the plane, the modulation effect is width dependent and becomes much more significant for narrow ribbons.

  12. Negative capacitance switching via VO2 band gap engineering driven by electric field

    Science.gov (United States)

    He, Xinfeng; Xu, Jing; Xu, Xiaofeng; Gu, Congcong; Chen, Fei; Wu, Binhe; Wang, Chunrui; Xing, Huaizhong; Chen, Xiaoshuang; Chu, Junhao

    2015-03-01

    We report the negative capacitance behavior of an energy band gap modulation quantum well with a sandwich VO2 layer structure. The phase transition is probed by measuring its capacitance. With the help of theoretical calculations, it shows that the negative capacitance changes of the quantum well device come from VO2 band gap by continuously tuning the temperature or voltage. Experiments reveal that as the current remains small enough, joule heating can be ignored, and the insulator-metal transition of VO2 can be induced by the electric field. Our results open up possibilities for functional devices with phase transitions induced by external electric fields other than the heating or electricity-heat transition.

  13. Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

    Science.gov (United States)

    Elkadi, Asmaa; Decrossas, Emmanuel; El-Ghazaly, Samir

    2013-01-01

    The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of the electron density for an individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closest neighbours reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

  14. 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.

  15. Optical Band Gap and Thermal Diffusivity of Polypyrrole-Nanoparticles Decorated Reduced Graphene Oxide Nanocomposite Layer

    Directory of Open Access Journals (Sweden)

    Amir Reza Sadrolhosseini

    2016-01-01

    Full Text Available A polypyrrole-nanoparticles reduced graphene oxide nanocomposite layer was prepared using electrochemical method. The prepared samples were characterized using Fourier transform infrared spectroscopy, field emission scanning electron microscopy, and UV-visible spectroscopy. The band gap of nanocomposite layers was calculated from UV-visible spectra and the thermal diffusivity of layers was measured using a photoacoustic technique. As experimental results, the optical band gap was in the range between 3.580 eV and 3.853 eV, and thermal diffusivity was increased with increasing the layer thickness from 2.873 cm2/s to 12.446 cm2/s.

  16. Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

    Science.gov (United States)

    Elkadi, Asmaa; Decrossas, Emmanuel; El-Ghazaly, Samir

    2013-01-01

    The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of electron density for na individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closet neighbors reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

  17. Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

    Science.gov (United States)

    Elkadi, Asmaa; Decrossas, Emmanuel; El-Ghazaly, Samir

    2013-01-01

    The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of the electron density for an individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closest neighbours reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

  18. On the wavelength dependence of femtosecond laser interactions inside band gap solids

    Science.gov (United States)

    Leyder, S.; Grojo, D.; Delaporte, Ph.; Lebugle, M.; Marine, W.; Sanner, N.; Sentis, M.; Utéza, O.

    2013-03-01

    3D laser microfabrication inside narrow band gap solids like semiconductors will require the use of long wavelength intense pulses. We perform an experimental study of the multiphoton-avalanche absorption yields and thresholds with tightly focused femtosecond laser beams at wavelengths: 1.3μm and 2.2μm. For comparisons, we perform the experiments in two very different materials: silicon (semiconductor, ˜1.1 eV indirect bandgap) and fused silica (dielectric, ˜9 eV direct bandgap). For both materials, we find only moderate differences while the number of photons required to cross the band gap changes from 2 to 3 in silicon and from 10 to 16 in fused silica.

  19. Very low band gap thiadiazoloquinoxaline donor-acceptor polymers as multi-tool conjugated polymers.

    Science.gov (United States)

    Steckler, Timothy T; Henriksson, Patrik; Mollinger, Sonya; Lundin, Angelica; Salleo, Alberto; Andersson, Mats R

    2014-01-29

    Here we report on the synthesis of two novel very low band gap (VLG) donor-acceptor polymers (Eg ≤ 1 eV) and an oligomer based on the thiadiazoloquinoxaline acceptor. Both polymers demonstrate decent ambipolar mobilities, with P1 showing the best performance of ∼10(-2) cm(2) V(-1) s(-1) for p- and n-type operation. These polymers are among the lowest band gap polymers (≲0.7 eV) reported, with a neutral λmax = 1476 nm (P2), which is the farthest red-shifted λmax reported to date for a soluble processable polymer. Very little has been done to characterize the electrochromic aspects of VLG polymers; interestingly, these polymers actually show a bleaching of their neutral absorptions in the near-infrared region and have an electrochromic contrast up to 30% at a switching speed of 3 s.

  20. Coupled-mode theory for photonic band-gap inhibition of spatial instabilities.

    Science.gov (United States)

    Gomila, Damià; Oppo, Gian-Luca

    2005-07-01

    We study the inhibition of pattern formation in nonlinear optical systems using intracavity photonic crystals. We consider mean-field models for singly and doubly degenerate optical parametric oscillators. Analytical expressions for the new (higher) modulational thresholds and the size of the "band gap" as a function of the system and photonic crystal parameters are obtained via a coupled-mode theory. Then, by means of a nonlinear analysis, we derive amplitude equations for the unstable modes and find the stationary solutions above threshold. The form of the unstable mode is different in the lower and upper parts of the band gap. In each part there is bistability between two spatially shifted patterns. In large systems stable wall defects between the two solutions are formed and we provide analytical expressions for their shape. The analytical results are favorably compared with results obtained from the full system equations. Inhibition of pattern formation can be used to spatially control signal generation in the transverse plane.