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

Directory of Open Access Journals (Sweden)

Mao Liu

2015-01-01

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

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.

Left Handed Materials: A New Paradigm in Structured Electromagnetics

International Nuclear Information System (INIS)

Johri, Manoj; Paudyal, Harihar

2010-05-01

A new paradigm has emerged exhibiting reverse electromagnetic properties. Novel composite and micro-structured materials (metamaterials) have been designed to control electromagnetic radiation. Such substances have been called as Left Handed Material (LHM) with simultaneous negative permittivity and negative permeability and negative refractive index as well. Left handed materials are of importance because of their ability to influence the behavior of electromagnetic radiation and to display properties beyond those available in naturally occurring materials. Typically these are sub-wavelength artificial structures where the dimensions are very small compared to the working wavelength. These dimensions are normally of the order of λ/10 where λ is the wavelength of electromagnetic wave propagating in the material. Emergence of this new paradigm leads to some very interesting consequences, such as, to create lenses that are not diffraction limited, cloaking, sensors (chemical, biological and individual molecule), optical and radio communication. This new development in structured electromagnetic materials has had a dramatic impact on the physics, optics and engineering communities. (author)

Experimental investigation of photonic band gap in one-dimensional photonic crystals with metamaterials

International Nuclear Information System (INIS)

Chen, Yihang; Wang, Xinggang; Yong, Zehui; Zhang, Yunjuan; Chen, Zefeng; He, Lianxing; Lee, P.F.; Chan, Helen L.W.; Leung, Chi Wah; Wang, Yu

2012-01-01

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 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 eff gap can be conveniently adjusted while keeping the center frequency constant. Furthermore, the zero-φ 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 eff gap. -- Highlights: ► 1D photonic crystals with metamaterials were investigated experimentally. ► Both Bragg gap and zero-φ eff gap were observed in the microwave regime. ► The width and depth of the zero-φ eff gap were experimentally adjusted. ► Zero-φ eff gap was observed to be close when two match conditions were satisfied.

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.

Anomalous band-gap bowing of AlN1−xPx alloy

International Nuclear Information System (INIS)

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

2013-01-01

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

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

International Nuclear Information System (INIS)

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

2003-01-01

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

Design for maximum band-gaps in beam structures

DEFF Research Database (Denmark)

Olhoff, Niels; Niu, Bin; Cheng, Gengdong

2012-01-01

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

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.

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

Science.gov (United States)

Chourasia, Ritesh Kumar; Singh, Vivek

2018-04-01

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

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

International Nuclear Information System (INIS)

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

2011-01-01

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

Micromachined millimeter-wave photonic band-gap crystals

International Nuclear Information System (INIS)

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

1994-01-01

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

Hand movements with a phase structure and gestures that depict action stem from a left hemispheric system of conceptualization.

Science.gov (United States)

Helmich, I; Lausberg, H

2014-10-01

The present study addresses the previously discussed controversy on the contribution of the right and left cerebral hemispheres to the production and conceptualization of spontaneous hand movements and gestures. Although it has been shown that each hemisphere contains the ability to produce hand movements, results of left hemispherically lateralized motor functions challenge the view of a contralateral hand movement production system. To examine hemispheric specialization in hand movement and gesture production, ten right-handed participants were tachistoscopically presented pictures of everyday life actions. The participants were asked to demonstrate with their hands, but without speaking what they had seen on the drawing. Two independent blind raters evaluated the videotaped hand movements and gestures employing the Neuropsychological Gesture Coding System. The results showed that the overall frequency of right- and left-hand movements is equal independent of stimulus lateralization. When hand movements were analyzed considering their Structure, the presentation of the action stimuli to the left hemisphere resulted in more hand movements with a phase structure than the presentation to the right hemisphere. Furthermore, the presentation to the left hemisphere resulted in more right and left-hand movements with a phase structure, whereas the presentation to the right hemisphere only increased contralateral left-hand movements with a phase structure as compared to hand movements without a phase structure. Gestures that depict action were primarily displayed in response to stimuli presented in the right visual field than in the left one. The present study shows that both hemispheres possess the faculty to produce hand movements in response to action stimuli. However, the left hemisphere dominates the production of hand movements with a phase structure and gestures that depict action. We therefore conclude that hand movements with a phase structure and gestures that

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Wurtzite gallium phosphide has a direct-band gap

NARCIS (Netherlands)

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

2013-01-01

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

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.

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

Science.gov (United States)

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

2016-02-01

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

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.

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

International Nuclear Information System (INIS)

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

2011-01-01

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

Light reflection by the cuticle of C. aurigans scarabs: a biological broadband reflector of left handed circularly polarized light

Science.gov (United States)

Libby, E.; Azofeifa, D. E.; Hernández-Jiménez, M.; Barboza-Aguilar, C.; Solís, A.; García-Aguilar, I.; Arce-Marenco, L.; Hernández, A.; Vargas, W. E.

2014-08-01

Measured reflection spectra from elytra of Chrysina aurigans scarabs are reported. They show a broad reflection band for wavelengths from 0.525 to 1.0 μm with a sequence of maxima and minima reflection values superimposed on a mean value of around 40% for the high reflection band. Different mechanisms contributing to the reflection spectra have been considered, with the dominant effect, reflection of left handed circularly polarized light, being produced by a laminated left handed twisted structure whose pitch changes with depth through the procuticle in a more complex way than that characterizing broad band circular polarizers based on cholesteric liquid crystals.

Light reflection by the cuticle of C. aurigans scarabs: a biological broadband reflector of left handed circularly polarized light

International Nuclear Information System (INIS)

Libby, E; Azofeifa, D E; Hernández-Jiménez, M; García-Aguilar, I; Arce-Marenco, L; Hernández, A; Vargas, W E; Barboza-Aguilar, C; Solís, A

2014-01-01

Measured reflection spectra from elytra of Chrysina aurigans scarabs are reported. They show a broad reflection band for wavelengths from 0.525 to 1.0 μm with a sequence of maxima and minima reflection values superimposed on a mean value of around 40% for the high reflection band. Different mechanisms contributing to the reflection spectra have been considered, with the dominant effect, reflection of left handed circularly polarized light, being produced by a laminated left handed twisted structure whose pitch changes with depth through the procuticle in a more complex way than that characterizing broad band circular polarizers based on cholesteric liquid crystals. (fast track communication)

Hybrid functional band gap calculation of SnO{sub 6} containing perovskites and their derived structures

Energy Technology Data Exchange (ETDEWEB)

Lee, Hyewon [Department of Physics, Pusan National University, Pusan 609-735, Republic of South Korea (Korea, Republic of); Cheong, S.W. [Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854 (United States); Kim, Bog G., E-mail: boggikim@pusan.ac.kr [Department of Physics, Pusan National University, Pusan 609-735, Republic of South Korea (Korea, Republic of)

2015-08-15

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

The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

International Nuclear Information System (INIS)

Kevin Jerome Sutherland

2001-01-01

Photonic band gap (PBG) crystals are periodic dielectric structures that manipulate electromagnetic radiation in a manner similar to semiconductor devices manipulating electrons. Whereas a semiconductor material exhibits an electronic band gap in which electrons cannot exist, similarly, a photonic crystal containing a photonic band gap does not allow the propagation of specific frequencies of electromagnetic radiation. This phenomenon results from the destructive Bragg diffraction interference that a wave propagating at a specific frequency will experience because of the periodic change in dielectric permitivity. This gives rise to a variety of optical applications for improving the efficiency and effectiveness of opto-electronic devices. These applications are reviewed later. Several methods are currently used to fabricate photonic crystals, which are also discussed in detail. This research involves a layer-by-layer micro-transfer molding ((mu)TM) and stacking method to create three-dimensional FCC structures of epoxy or titania. The structures, once reduced significantly in size can be infiltrated with an organic gain media and stacked on a semiconductor to improve the efficiency of an electronically pumped light-emitting diode. Photonic band gap structures have been proven to effectively create a band gap for certain frequencies of electro-magnetic radiation in the microwave and near-infrared ranges. The objective of this research project was originally two-fold: to fabricate a three dimensional (3-D) structure of a size scaled to prohibit electromagnetic propagation within the visible wavelength range, and then to characterize that structure using laser dye emission spectra. As a master mold has not yet been developed for the micro transfer molding technique in the visible range, the research was limited to scaling down the length scale as much as possible with the current available technology and characterizing these structures with other methods

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.

Analysis of photonic band-gap (PBG) structures using the FDTD method

DEFF Research Database (Denmark)

Tong, M.S.; Cheng, M.; Lu, Y.L.

2004-01-01

In this paper, a number of photonic band-gap (PBG) structures, which are formed by periodic circuit elements printed oil transmission-line circuits, are studied by using a well-known numerical method, the finite-difference time-domain (FDTD) method. The results validate the band-stop filter...... behavior of these structures, and the computed results generally match well with ones published in the literature. It is also found that the FDTD method is a robust, versatile, and powerful numerical technique to perform such numerical studies. The proposed PBG filter structures may be applied in microwave...

Confinement of light in periodic structures with negative phase velocity

International Nuclear Information System (INIS)

Driss Bria; Abdelmajid Essadqui; Bahram Djafari-Rouhani; Mohamed Azizi; Abdellah Daoudi; Abdelkrim Nougaoui

2008-08-01

We discuss unusual features of wave propagation in periodic arrays of slabs made of transparent left-handed metamaterials with simultaneously negative dielectric permittivity and magnetic permeability, and demonstrate the possibility of light confinement due to the appearance of complete photonic band-gaps in such one-dimensional structures. With an appropriate choice of the parameters, we show that it is possible to realize an absolute (or omnidirectional) band gap for either transverse electric (TE) or transverse magnetic (TM) polarizations of the electromagnetic waves. A combination of two multilayer structures composed of right-handed material (RHM) and left-handed metamaterials LHM is proposed to realize, in a certain range of frequency, an omnidirectional reflector of light for both polarizations. (author)

Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

Science.gov (United States)

Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

2015-06-18

We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

Photonic band gap structure simulator

Science.gov (United States)

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

2006-10-03

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

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...

Left regular bands of groups of left quotients

International Nuclear Information System (INIS)

El-Qallali, A.

1988-10-01

A semigroup S which has a left regular band of groups as a semigroup of left quotients is shown to be the semigroup which is a left regular band of right reversible cancellative semigroups. An alternative characterization is provided by using spinned products. These results are applied to the case where S is a superabundant whose set of idempotents forms a left normal band. (author). 13 refs

Real-space description of semiconducting band gaps in substitutional systems

International Nuclear Information System (INIS)

Magri, R.; Zunger, A.

1991-01-01

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

Photonic band edge assisted spontaneous emission enhancement from all Er3+ 1-D photonic band gap structure

Science.gov (United States)

Chiasera, A.; Meroni, C.; Varas, S.; Valligatla, S.; Scotognella, F.; Boucher, Y. G.; Lukowiak, A.; Zur, L.; Righini, G. C.; Ferrari, M.

2018-06-01

All Er3+ doped dielectric 1-D Photonic Band Gap Structure was fabricated by rf-sputtering technique. The structure was constituted by of twenty pairs of SiO2/TiO2 alternated layers doped with Er3+ ions. The scanning electron microscopy was used to check the morphology of the structure. Transmission measurements put in evidence the stop band in the range 1500 nm-1950 nm. The photoluminescence measurements were obtained by optically exciting the sample and detecting the emitted light in the 1.5 μm region at different detection angles. Luminescence spectra and luminescence decay curves put in evidence that the presence of the stop band modify the emission features of the Er3+ ions.

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

Czech Academy of Sciences Publication Activity Database

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

2015-01-01

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

High power experimental studies of hybrid photonic band gap accelerator structures

Directory of Open Access Journals (Sweden)

JieXi Zhang

2016-08-01

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

Harnessing the bistable composite shells to design a tunable phononic band gap structure

Science.gov (United States)

Li, Yi; Xu, Yanlong

2018-02-01

By proposing a system composed of an array of bistable composite shells immersed in air, we develop a new class of periodic structure to control the propagation of sound. Through numerical investigation, we find that the acoustic band gap of this system can be switched on and off by triggering the snap through deformation of the bistable composite shells. The shape of cross section and filling fraction of unit cell can be altered by different number of bistable composite shells, and they have strong impact on the position and width of the band gap. The proposed concept paves the way of using the bistable structures to design a new class of metamaterials that can be enable to manipulate sound.

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

International Nuclear Information System (INIS)

Aly, Arafa H; Mehaney, Ahmed

2016-01-01

This study reports on the propagation of elastic waves in 1D and 2D mass spring structures. An analytical and computation model is presented for the 1D and 2D mass spring systems with different examples. An enhancement in the band gap values was obtained by modeling the structures to obtain low frequency band gaps at small dimensions. Additionally, the evolution of the band gap as a function of mass value is discussed. Special attention is devoted to the local resonance property in frequency ranges within the gaps in the band structure for the corresponding infinite periodic lattice in the 1D and 2D mass spring system. A linear defect formed of a row of specific masses produces an elastic waveguide that transmits at the narrow pass band frequency. The frequency of the waveguides can be selected by adjusting the mass and stiffness coefficients of the materials constituting the waveguide. Moreover, we pay more attention to analyze the wave multiplexer and DE-multiplexer in the 2D mass spring system. We show that two of these tunable waveguides with alternating materials can be employed to filter and separate specific frequencies from a broad band input signal. The presented simulation data is validated through comparison with the published research, and can be extended in the development of resonators and MEMS verification. (paper)

Effect of eddy current damping on phononic band gaps generated by locally resonant periodic structures

Science.gov (United States)

Ozkaya, Efe; Yilmaz, Cetin

2017-02-01

The effect of eddy current damping on a novel locally resonant periodic structure is investigated. The frequency response characteristics are obtained by using a lumped parameter and a finite element model. In order to obtain wide band gaps at low frequencies, the periodic structure is optimized according to certain constraints, such as mass distribution in the unit cell, lower limit of the band gap, stiffness between the components in the unit cell, the size of magnets used for eddy current damping, and the number of unit cells in the periodic structure. Then, the locally resonant periodic structure with eddy current damping is manufactured and its experimental frequency response is obtained. The frequency response results obtained analytically, numerically and experimentally match quite well. The inclusion of eddy current damping to the periodic structure decreases amplitudes of resonance peaks without disturbing stop band width.

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

Science.gov (United States)

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

2016-12-15

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

Plasmon band gap generated by intense ion acoustic waves

International Nuclear Information System (INIS)

Son, S.; Ku, S.

2010-01-01

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

Band gap structure modification of amorphous anodic Al oxide film by Ti-alloying

DEFF Research Database (Denmark)

Canulescu, Stela; Rechendorff, K.; Borca, C. N.

2014-01-01

The band structure of pure and Ti-alloyed anodic aluminum oxide has been examined as a function of Ti concentration varying from 2 to 20 at. %. The band gap energy of Ti-alloyed anodic Al oxide decreases with increasing Ti concentration. X-ray absorption spectroscopy reveals that Ti atoms...... are not located in a TiO2 unit in the oxide layer, but rather in a mixed Ti-Al oxide layer. The optical band gap energy of the anodic oxide layers was determined by vacuum ultraviolet spectroscopy in the energy range from 4.1 to 9.2 eV (300–135 nm). The results indicate that amorphous anodic Al2O3 has a direct...

Opening complete band gaps in two dimensional locally resonant phononic crystals

Science.gov (United States)

Zhou, Xiaoling; Wang, Longqi

2018-05-01

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

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...

Polarization-dependent diffraction in all-dielectric, twisted-band structures

Energy Technology Data Exchange (ETDEWEB)

Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl [Photonic Nanostructure Facility, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warszawa (Poland)

2015-11-23

We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

Effects of weak nonlinearity on dispersion relations and frequency band-gaps of periodic structures

DEFF Research Database (Denmark)

Sorokin, Vladislav; Thomsen, Jon Juel

2015-01-01

of these for nonlinear problems is impossible or cumbersome, since Floquet theory is applicable for linear systems only. Thus the nonlinear effects for periodic structures are not yet fully uncovered, while at the same time applica-tions may demand effects of nonlinearity on structural response to be accounted for....... The present work deals with analytically predicting dynamic responses for nonlinear continuous elastic periodic structures. Specifically, the effects of weak nonlinearity on the dispersion re-lation and frequency band-gaps of a periodic Bernoulli-Euler beam performing bending os-cillations are analyzed......The analysis of the behaviour of linear periodic structures can be traced back over 300 years, to Sir Isaac Newton, and still attracts much attention. An essential feature of periodic struc-tures is the presence of frequency band-gaps, i.e. frequency ranges in which waves cannot propagate...

Right- and left-handed three-helix proteins. I. Experimental and simulation analysis of differences in folding and structure.

Science.gov (United States)

Glyakina, Anna V; Pereyaslavets, Leonid B; Galzitskaya, Oxana V

2013-09-01

Despite the large number of publications on three-helix protein folding, there is no study devoted to the influence of handedness on the rate of three-helix protein folding. From the experimental studies, we make a conclusion that the left-handed three-helix proteins fold faster than the right-handed ones. What may explain this difference? An important question arising in this paper is whether the modeling of protein folding can catch the difference between the protein folding rates of proteins with similar structures but with different folding mechanisms. To answer this question, the folding of eight three-helix proteins (four right-handed and four left-handed), which are similar in size, was modeled using the Monte Carlo and dynamic programming methods. The studies allowed us to determine the orders of folding of the secondary-structure elements in these domains and amino acid residues which are important for the folding. The obtained data are in good correlation with each other and with the experimental data. Structural analysis of these proteins demonstrated that the left-handed domains have a lesser number of contacts per residue and a smaller radius of cross section than the right-handed domains. This may be one of the explanations of the observed fact. The same tendency is observed for the large dataset consisting of 332 three-helix proteins (238 right- and 94 left-handed). From our analysis, we found that the left-handed three-helix proteins have some less-dense packing that should result in faster folding for some proteins as compared to the case of right-handed proteins. Copyright © 2013 Wiley Periodicals, Inc.

Anomalous electromagnetically induced transparency in photonic-band-gap materials

International Nuclear Information System (INIS)

Singh, Mahi R.

2004-01-01

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

Terahertz spectroscopy of three-dimensional photonic band-gap crystals

International Nuclear Information System (INIS)

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

1994-01-01

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

Omnidirectional photonic band gap enlarged by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure

Energy Technology Data Exchange (ETDEWEB)

Zhang Haifeng [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Nanjing Artillery Academy, Nanjing 211132 (China); Liu Shaobin [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); State Key Laboratory of Millimeter Waves of Southeast University, Nanjing Jiangsu 210096 (China); Kong Xiangkun; Bian Borui; Dai Yi [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

2012-11-15

In this paper, an omnidirectional photonic band gap realized by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure, which is composed of homogeneous unmagnetized plasma and two kinds of isotropic dielectric, is theoretically studied by the transfer matrix method. It has been shown that such an omnidirectional photonic band gap originates from Bragg gap in contrast to zero-n gap or single negative (negative permittivity or negative permeability) gap, and it is insensitive to the incidence angle and the polarization of electromagnetic wave. From the numerical results, the frequency range and central frequency of omnidirectional photonic band gap can be tuned by the thickness and density of the plasma but cease to change with increasing Fibonacci order. The bandwidth of omnidirectional photonic band gap can be notably enlarged. Moreover, the plasma collision frequency has no effect on the bandwidth of omnidirectional photonic band gap. It is shown that such new structure Fibonacci quasiperiodic one-dimensional ternary plasma photonic crystals have a superior feature in the enhancement of frequency range of omnidirectional photonic band gap compared with the conventional ternary and conventional Fibonacci quasiperiodic ternary plasma photonic crystals.

Band gap engineering of BC2N for nanoelectronic applications

Science.gov (United States)

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

2017-12-01

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

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

Science.gov (United States)

Dass, Devi

2018-03-01

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

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

Science.gov (United States)

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

2018-05-01

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

Band Gap Optimization Design of Photonic Crystals Material

Science.gov (United States)

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

2017-12-01

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

Band gap engineering strategy via polarization rotation in perovskite ferroelectrics

International Nuclear Information System (INIS)

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

2014-01-01

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

Band gap bowing in quaternary nitride semiconducting alloys

DEFF Research Database (Denmark)

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

2011-01-01

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

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.

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.

Optical study of the band structure of wurtzite GaP nanowires

KAUST Repository

Assali, S.; Greil, J.; Zardo, I.; Belabbes, Abderrezak; de Moor, M. W. A.; Koelling, S.; Koenraad, P. M.; Bechstedt, F.; Bakkers, E. P. A. M.; Haverkort, J. E. M.

2016-01-01

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.

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...

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.

Science.gov (United States)

Linderälv, Christopher; Lindman, Anders; Erhart, Paul

2018-01-04

Wide band gap oxides are versatile materials with numerous applications in research and technology. Many properties of these materials are intimately related to defects, with the most important defect being the oxygen vacancy. Here, using electronic structure calculations, we show that the charge transition level (CTL) and eigenstates associated with oxygen vacancies, which to a large extent determine their electronic properties, are confined to a rather narrow energy range, even while band gap and the electronic structure of the conduction band vary substantially. Vacancies are classified according to their character (deep versus shallow), which shows that the alignment of electronic eigenenergies and CTL can be understood in terms of the transition between cavity-like localized levels in the large band gap limit and strong coupling between conduction band and vacancy states for small to medium band gaps. We consider both conventional and hybrid functionals and demonstrate that the former yields results in very good agreement with the latter provided that band edge alignment is taken into account.

Band gap tuning of amorphous Al oxides by Zr alloying

Energy Technology Data Exchange (ETDEWEB)

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

2016-08-29

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

Band-gap tunability and dynamical instability in strained monolayer and bilayer phosphorenes

International Nuclear Information System (INIS)

Huang, G Q; Xing, Z W

2015-01-01

Very recently, field-effect transistors based on few-layer phosphorene crystals with a thickness of down to a few nanometres were successfully fabricated, triggering interest in this new functional two-dimensional material. In this work, we apply first-principles calculations to studying the evolution of electronic and phononic structures with out-of-plane strain for monolayer and bilayer phosphorenes. It is found that the vertical stress can be used to tune the band gap of a semiconducting phosphorene in a wide range. On the other hand, the vertical stress can make the phosphorene lattice become dynamically unstable and surface reconstruction or structural phase transition may occur. Due to the interlayer van der Waals coupling, the dynamically stable range of bilayer phosphorene under vertical stress is wider than that of monolayer phosphorene. It is proposed whether or not a semiconductor-semimetal transition occurring in a strained phosphorene is determined not only by its band gap closing, but also by its lattice stability against strain. This information is essential for the strain engineering of phosphorene and future device fabrication. (paper)

Low losses left-handed materials with optimized electric and magnetic resonance

Science.gov (United States)

Zhou, Xin; Liu, Yahong; Zhao, Xiaopeng

2010-03-01

We propose that the losses in left-handed materials (LHMs) can be significantly affected by changing the coupling relationship between electric and magnetic resonance. A double bowknot shaped structure (DBS) is used to construct the LHMs. And the magnetic resonance of the DBS, which resonated in the case of lower and higher frequencies than the electric resonant dip, is studied in simulation and experiment by tailoring the structural parameters. The case of magnetic resonance located at low electric resonance frequencies band is confirmed to have relatively low losses. Using full wave simulation of prism shaped structure composed of DBS unit cells, we prove the negative refraction behavior in such a frame. This study can serve as a guide for designing other similar metal-dielectric-metal (MDM) in low losses at terahertz or higher frequencies.

Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

Science.gov (United States)

Junquera, Javier; Aguado-Puente, Pablo

2013-03-01

At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.

Analysis of photonic band-gap structures in stratified medium

DEFF Research Database (Denmark)

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

2005-01-01

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

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

International Nuclear Information System (INIS)

Ding Xueyong; Li Hongfan; Lv Zhensu

2012-01-01

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

[Influence of "prehistory" of sequential movements of the right and the left hand on reproduction: coding of positions, movements and sequence structure].

Science.gov (United States)

Bobrova, E V; Liakhovetskiĭ, V A; Borshchevskaia, E R

2011-01-01

The dependence of errors during reproduction of a sequence of hand movements without visual feedback on the previous right- and left-hand performance ("prehistory") and on positions in space of sequence elements (random or ordered by the explicit rule) was analyzed. It was shown that the preceding information about the ordered positions of the sequence elements was used during right-hand movements, whereas left-hand movements were performed with involvement of the information about the random sequence. The data testify to a central mechanism of the analysis of spatial structure of sequence elements. This mechanism activates movement coding specific for the left hemisphere (vector coding) in case of an ordered sequence structure and positional coding specific for the right hemisphere in case of a random sequence structure.

Optical study of the band structure of wurtzite GaP nanowires

OpenAIRE

Assali, S.; Greil, J.; Zardo, I.; Belabbes, A.; de Moor, M.W.A.; Kölling, S.; Koenraad, P.M.; Bechstedt, F.; Bakkers, E.P.A.M.; Haverkort, J.E.M.

2016-01-01

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...

Band Gap Modulated by Electronic Superlattice in Blue Phosphorene.

Science.gov (United States)

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

2018-05-22

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

Band structures in fractal grading porous phononic crystals

Science.gov (United States)

Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

2018-05-01

In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

Multiband Slot-Based Dual Composite Right/Left-Handed Transmission Line

Directory of Open Access Journals (Sweden)

E. Abdo-Sanchez

2012-10-01

Full Text Available A dual Composite Right-/Left-Handed Transmission Line (CRLH TL implementation that presents multiband behaviour is proposed in this contribution. The artificial TL is realized by loading a host microstrip line with alternate rectangular stubs and slots. The required series and shunt immittances are respectively provided by the slot and the stub. Due to the distributed nature of these immittances, the resultant phase response presents theoretically infinite RH and LH alternate bands, thus being appropriate for multiband applications. The design methodology is described with the help of a proposed TLs-based equivalent circuit and highlights the simplicity for balance condition. Full wave simulated results of the dispersion characteristics and frequency response of a unit-cell and a three-cells structure are presented.

Investigation of photonic band gaps with special emphasis on hyperuniform structures

OpenAIRE

Siedentop, Lukas

2016-01-01

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

Three-dimensional ordered particulate structures: Method to retrieve characteristics from photonic band gap data

International Nuclear Information System (INIS)

Miskevich, Alexander A.; Loiko, Valery A.

2015-01-01

A method to retrieve characteristics of ordered particulate structures, such as photonic crystals, is proposed. It is based on the solution of the inverse problem using data on the photonic band gap (PBG). The quasicrystalline approximation (QCA) of the theory of multiple scattering of waves and the transfer matrix method (TMM) are used. Retrieval of the refractive index of particles is demonstrated. Refractive indices of the artificial opal particles are estimated using the published experimental data. - Highlights: • A method to retrieve characteristics of photonic crystals is proposed. • The method is based on the inverse problem solution using the photonic band gap data. • Retrieval of the refractive index of photonic crystal particles is demonstrated. • Retrieval results show inhomogeneous distribution of synthetic opal particle pores

Determination of band structure parameters and the quasi-particle gap of CdSe quantum dots by cyclic voltammetry.

Science.gov (United States)

Inamdar, Shaukatali N; Ingole, Pravin P; Haram, Santosh K

2008-12-01

Band structure parameters such as the conduction band edge, the valence band edge and the quasi-particle gap of diffusing CdSe quantum dots (Q-dots) of various sizes were determined using cyclic voltammetry. These parameters are strongly dependent on the size of the Q-dots. The results obtained from voltammetric measurements are compared to spectroscopic and theoretical data. The fit obtained to the reported calculations based on the semi-empirical pseudopotential method (SEPM)-especially in the strong size-confinement region, is the best reported so far, according to our knowledge. For the smallest CdSe Q-dots, the difference between the quasi-particle gap and the optical band gap gives the electron-hole Coulombic interaction energy (J(e1,h1)). Interband states seen in the photoluminescence spectra were verified with cyclic voltammetry measurements.

Hand Matters: Left-Hand Gestures Enhance Metaphor Explanation

Science.gov (United States)

Argyriou, Paraskevi; Mohr, Christine; Kita, Sotaro

2017-01-01

Research suggests that speech-accompanying gestures influence cognitive processes, but it is not clear whether the gestural benefit is specific to the gesturing hand. Two experiments tested the "(right/left) hand-specificity" hypothesis for self-oriented functions of gestures: gestures with a particular hand enhance cognitive processes…

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

International Nuclear Information System (INIS)

Yang Shaohua; Wu Fugen; Zhong Huilin; Zhong Lanhua

2006-01-01

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

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

International Nuclear Information System (INIS)

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

2006-01-01

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

Designing Phononic Crystals with Wide and Robust Band Gaps

Science.gov (United States)

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

2018-04-01

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

Designing Phononic Crystals with Wide and Robust Band Gaps

Energy Technology Data Exchange (ETDEWEB)

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

2018-04-16

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

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.

Modification of structure and optical band-gap of nc-Si:H films with ion irradiation

International Nuclear Information System (INIS)

Zhu Yabin; Wang Zhiguang; Sun Jianrong; Yao Cunfeng; Shen Tielong; Li Bingsheng; Wei Kongfang; Pang Lilong; Sheng Yanbin; Cui Minghuan; Li Yuanfei; Wang Ji; Zhu Huiping

2012-01-01

Hydrogenated nano-crystalline silicon (nc-Si:H) films fabricated by using hot-wire chemical vapor deposition are irradiated at room temperature with 6.0 MeV Xe-ions. The irradiation fluences are 1.0 × 10 13 , 5.0 × 10 13 and 1.0 × 10 14 Xe-ions/cm 2 . The structure and optical band-gap of the irradiated films varying with ion fluence are investigated by means of X-ray diffraction, Raman and UV–Vis–NIR spectroscopes, as well as transmission electron microscopy. It is found that the crystallite size, the crystalline fraction and the optical band-gap decrease continuously with increasing the ion fluence. The crystalline fraction of the films irradiated to the fluences from 0 to 1.0 × 10 14 Xe-ions/cm 2 decreases from about 65.7% to 2.9% and the optical band-gap decreases from about 2.1 to 1.6 eV. Possible origins of the modification of the nc-Si:H films under 6.0 MeV Xe-ions irradiation are briefly discussed.

The structure of Plasmodium vivax phosphatidylethanolamine-binding protein suggests a functional motif containing a left-handed helix

International Nuclear Information System (INIS)

Arakaki, Tracy; Neely, Helen; Boni, Erica; Mueller, Natasha; Buckner, Frederick S.; Van Voorhis, Wesley C.; Lauricella, Angela; DeTitta, George; Luft, Joseph; Hol, Wim G. J.; Merritt, Ethan A.

2007-01-01

The crystal structure of a phosphatidylethanolamine-binding protein from P. vivax, a homolog of Raf-kinase inhibitor protein (RKIP), has been solved to a resolution of 1.3 Å. The inferred interaction surface near the anion-binding site is found to include a distinctive left-handed α-helix. The structure of a putative Raf kinase inhibitor protein (RKIP) homolog from the eukaryotic parasite Plasmodium vivax has been studied to a resolution of 1.3 Å using multiple-wavelength anomalous diffraction at the Se K edge. This protozoan protein is topologically similar to previously studied members of the phosphatidylethanolamine-binding protein (PEBP) sequence family, but exhibits a distinctive left-handed α-helical region at one side of the canonical phospholipid-binding site. Re-examination of previously determined PEBP structures suggests that the P. vivax protein and yeast carboxypeptidase Y inhibitor may represent a structurally distinct subfamily of the diverse PEBP-sequence family

Design of nanostrip magnonic crystal waveguides with a single magnonic band gap

International Nuclear Information System (INIS)

Wang, Qi; Zhong, Zhiyong; Jin, Lichuan; Tang, Xiaoli; Bai, Feiming; Zhang, Huaiwu; Beach, Geoffrey S.D.

2013-01-01

A novel planar structure of magnonic-crystal waveguide (MCW) with periodic rectangular-shaped holes embedded in a magnetic nanostrip film was designed. The effects of the distance between rectangular-shaped holes in the width direction of MCW on magnonic band structures were studied by micromagnetic simulations. The results show that a MCW with a single magnonic band gap can be obtained by adjusting the distance to meet the condition of Bragg reflection of spin waves in the width direction of MCW. Moreover, the center frequency and width of magnonic gap can be regulated by changing the period and length of rectangular-shaped holes. - Highlights: • Design a novel planar structure of magnonic-crystal waveguide. • The physical origin of a single magnonic band gap. • Study of the center frequency and width of magnonic gap

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

Directory of Open Access Journals (Sweden)

Md. Shahidul Alam

2013-01-01

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

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.

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.

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.

Two-dimensional silica: Structural, mechanical properties, and strain-induced band gap tuning

Energy Technology Data Exchange (ETDEWEB)

Gao, Enlai; Xie, Bo [Applied Mechanics Laboratory, Department of Engineering Mechanics, and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084 (China); Xu, Zhiping, E-mail: xuzp@tsinghua.edu.cn [Applied Mechanics Laboratory, Department of Engineering Mechanics, and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084 (China); State Key Laboratory of Mechanics and Control of Mechanical Structures, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

2016-01-07

Two-dimensional silica is of rising interests not only for its practical applications as insulating layers in nanoelectronics, but also as a model material to understand crystals and glasses. In this study, we examine structural and electronic properties of hexagonal and haeckelite phases of silica bilayers by performing first-principles calculations. We find that the corner-sharing SiO{sub 4} tetrahedrons in these two phases are locally similar. The robustness and resilience of these tetrahedrons under mechanical perturbation allow effective strain engineering of the electronic structures with band gaps covering a very wide range, from of that for insulators, to wide-, and even narrow-gap semiconductors. These findings suggest that the flexible 2D silica holds great promises in developing nanoelectronic devices with strain-tunable performance, and lay the ground for the understanding of crystalline and vitreous phases in 2D, where bilayer silica provides an ideal test-bed.

Electromagnetic Band Gap Structures: Practical Tips and Advice for Antenna Engineers

Directory of Open Access Journals (Sweden)

P. Kovacs

2012-04-01

Full Text Available In this paper we discuss the use of electromagnetic band gap (EBG structures in antenna engineering from a practical point of view. Our aim is to point out the most common mistakes and myths related to design, analysis and application of EBGs in the field of antennas. The paper could be helpful for beginners giving a short course on designing EBGs but also will bring novel findings for experts, investigating the effect of different number of unit cells on radiation characteristics of a planar antenna. An important part of the paper is the experiments showing the surface wave distribution over an EBG board and over the fabricated antennas with- and without the periodic structure.

Proceedings of wide band gap semiconductors

International Nuclear Information System (INIS)

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

1992-01-01

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

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.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-09-01

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

The complex band structure for armchair graphene nanoribbons

International Nuclear Information System (INIS)

Zhang Liu-Jun; Xia Tong-Sheng

2010-01-01

Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N = 3M − 1. The band gap is almost unchanged for N = 3M + 1, but decreased for N = 3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nanoribbons, and is also classified into three classes

Space-time evolution of Gaussian wave packets through superlattices containing left-handed layers

Energy Technology Data Exchange (ETDEWEB)

Pereyra, P; Romero-Serrano, M [Departamento de Ciencias Basicas, Universidad Autonoma Metropolitana-Azcapotzalco, Mexico DF (Mexico); Robledo-Martinez, A, E-mail: ppereyra@correo.azc.uam.m, E-mail: a.robledo@mailaps.or [Departamento de EnergIa, Universidad Autonoma Metropolitana-Azcapotzalco, Mexico DF (Mexico)

2009-05-01

We study the space-time evolution of Gaussian electromagnetic wave packets moving through (L/R){sup n} superlattices, containing alternating layers of left and right-handed materials. We show that the time spent by the wave packet moving through arbitrary (L/R){sup n} superlattices are well described by the phase time. We show that in the particular case where the thicknesses d{sub L,R} and indices n{sub l,r} of the layers satisfy the condition d{sub L}|n{sub L}| = d{sub R}n{sub R}, the usual band structure becomes a sequence of isolated and equidistant peaks with negative phase times.

Antenna Gain Enhancement Using a Photonic Band Gap Reflector

National Research Council Canada - National Science Library

Schloer, Karl

1999-01-01

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

Broadband microwave frequency doubler based on left-handed nonlinear transmission lines

International Nuclear Information System (INIS)

Huang Jie; Gu Wenwen; Zhao Qian

2017-01-01

A bandwidth microwave second harmonic generator is successfully designed using composite right/left-handed nonlinear transmission lines (CRLH NLTLs) in a GaAs monolithic microwave integrated circuit (MMIC) technology. The structure parameters of CRLH NLTLs, e.g. host transmission line, rectangular spiral inductor, and nonlinear capacitor, have a great impact on the second harmonic performance enhancement in terms of second harmonic frequency, output power, and conversion efficiency. It has been experimentally demonstrated that the second harmonic frequency is determined by the anomalous dispersion of CRLH NLTLs and can be significantly improved by effectively adjusting these structure parameters. A good agreement between the measured and simulated second harmonic performances of Ka-band CRLH NLTLs frequency multipliers is successfully achieved, which further validates the design approach of frequency multipliers on CRLH NLTLs and indicates the potentials of CRLH NLTLs in terms of the generation of microwave and millimeter-wave signal source. (paper)

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.

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-09-14

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

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.

Band gaps for the relativistic Mathieu potential

International Nuclear Information System (INIS)

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

1992-01-01

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

Photonic band gaps of porous solids

International Nuclear Information System (INIS)

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

2000-01-01

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

Lamb wave band gaps in a double-sided phononic plate

Science.gov (United States)

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

2013-02-01

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

Tuning of band gap due to fluorination of graphyne and graphdiyne

International Nuclear Information System (INIS)

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

2014-01-01

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

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

DEFF Research Database (Denmark)

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

2009-01-01

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

Left-handed compact MIMO antenna array based on wire spiral resonator for 5-GHz wireless applications

Science.gov (United States)

Alqadami, Abdulrahman Shueai Mohsen; Jamlos, Mohd Faizal; Soh, Ping Jack; Rahim, Sharul Kamal Abdul; Narbudowicz, Adam

2017-01-01

A compact coplanar waveguide-fed multiple-input multiple-output antenna array based on the left-handed wire loaded spiral resonators (SR) is presented. The proposed antenna consists of a 2 × 2 wire SR with two symmetrical microstrip feed lines, each line exciting a 1 × 2 wire SR. Left-handed metamaterial unit cells are placed on its reverse side and arranged in a 2 × 3 array. A reflection coefficient of less than -16 dB and mutual coupling of less than -28 dB are achieved at 5.15 GHz WLAN band.

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

KAUST Repository

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

2013-01-01

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

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.

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.

Clinical psychomotor skills among left and right handed medical students: are the left-handed medical students left out?

Science.gov (United States)

Alnassar, Sami; Alrashoudi, Aljoharah Nasser; Alaqeel, Mody; Alotaibi, Hala; Alkahel, Alanoud; Hajjar, Waseem; Al-Shaikh, Ghadeer; Alsaif, Abdulaziz; Haque, Shafiul; Meo, Sultan Ayoub

2016-03-22

There is a growing perception that the left handed (LH) medical students are facing difficulties while performing the clinical tasks that involve psychomotor skill, although the evidence is very limited and diverse. The present study aimed to evaluate the clinical psychomotor skills among Right-handed (RH) and left-handed (LH) medical students. For this study, 54 (27 left handed and 27 right handed) first year medical students were selected. They were trained for different clinical psychomotor skills including suturing, laparoscopy, intravenous cannulation and urinary catheterization under the supervision of certified instructors. All students were evaluated for psychomotor skills by different instructors. The comparative performance of the students was measured by using a global rating scale, each selected criteria was allotted 5-points score with the total score of 25. There were no significant differences in the performance of psychomotor skills among LH and RH medical students. The global rating score obtained by medical students in suturing techniques was: LH 15.89 ± 2.88, RH 16.15 ± 2.75 (p = 0.737), cannulation techniques LH 20.44 ± 2.81, RH 20.70 ± 2.56 (p = 0.725), urinary catheterization LH 4.33 ± 0.96 RH 4.11 ± 1.05 (p = 0.421). For laparoscopic skills total peg transfer time was shorter among LH medical students compared to RH medical students (LH 129.85 ± 80.87 s vs RH 135.52 ± 104.81 s) (p = 0.825). However, both RH and LH students completed their procedure within the stipulated time. Among LH and RH medical students no significant difference was observed in performing the common surgical psychomotor skills. Surgical skills for LH or RH might not be a result of innate dexterity but rather the academic environment in which they are trained and assessed. Early laterality-related mentoring in medical schools as well as during the clinical residency might reduce the inconveniences faced by the left-handed

Quantum levitation by left-handed metamaterials

Energy Technology Data Exchange (ETDEWEB)

Leonhardt, Ulf; Philbin, Thomas G [School of Physics and Astronomy, University of St Andrews, North Haugh, St Andrews KY16 9SS (United Kingdom)

2007-08-15

Left-handed metamaterials make perfect lenses that image classical electromagnetic fields with significantly higher resolution than the diffraction limit. Here, we consider the quantum physics of such devices. We show that the Casimir force of two conducting plates may turn from attraction to repulsion if a perfect lens is sandwiched between them. For optical left-handed metamaterials, this repulsive force of the quantum vacuum may levitate ultra-thin mirrors.

Quantum levitation by left-handed metamaterials

International Nuclear Information System (INIS)

Leonhardt, Ulf; Philbin, Thomas G

2007-01-01

Left-handed metamaterials make perfect lenses that image classical electromagnetic fields with significantly higher resolution than the diffraction limit. Here, we consider the quantum physics of such devices. We show that the Casimir force of two conducting plates may turn from attraction to repulsion if a perfect lens is sandwiched between them. For optical left-handed metamaterials, this repulsive force of the quantum vacuum may levitate ultra-thin mirrors

Band gap opening in silicene on MgBr2(0001) induced by Li and Na

KAUST Repository

Zhu, Jiajie

2014-11-12

Silicene consists of a monolayer of Si atoms in a buckled honeycomb structure and is expected to be well compatible with the current Si-based technology. However, the band gap is strongly influenced by the substrate. In this context, the structural and electronic properties of silicene on MgBr2(0001) modified by Li and Na are investigated by first-principles calculations. Charge transfer from silicene (substrate) to substrate (silicene) is found for substitutional doping (intercalation). As compared to a band gap of 0.01 eV on the pristine substrate, strongly enhanced band gaps of 0.65 eV (substitutional doping) and 0.24 eV (intercalation) are achieved. The band gap increases with the dopant concentration.

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.

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

Science.gov (United States)

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

2017-12-06

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

Correlation functions and susceptibilities of photonics band gap reservoirs

International Nuclear Information System (INIS)

Konopka, M.

1998-01-01

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

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.

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-09-20

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

A Compact Via-free Composite Right/Left Handed Low-pass Filter with Improved Selectivity

Science.gov (United States)

Kumar, Ashish; Choudhary, Dilip Kumar; Chaudhary, Raghvendra Kumar

2017-07-01

In this paper, a compact via-free low pass filter is designed based on composite right/left handed (CRLH) concept. The structure uses open ended concept. Rectangular slots are etched on signal transmission line (TL) to suppress the spurious band without altering the performance and size of filter. The filter is designed for low pass frequency band with cut-off frequency of 3.5 GHz. The proposed metamaterial structure has several prominent advantages in term of selectivity up to 34 dB/GHz and compactness with average insertion loss less than 0.4 dB. It has multiple applications in wireless communication (such as GSM900, global navigation satellite system (1.559-1.610 GHz), GSM1800, WLAN/WiFi (2.4-2.49 GHz) and WiMAX (2.5-2.69 GHz)). The design parameters have been measured and compared with the simulated results and found excellent agreement. The electrical size of proposed filter is 0.14λ0× 0.11λ0 (where λ0 is free space wavelength at zeroth order resonance (ZOR) frequency 2.7 GHz).

Absolute photonic band gap in 2D honeycomb annular photonic crystals

International Nuclear Information System (INIS)

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

2015-01-01

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

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

DEFF Research Database (Denmark)

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

2016-01-01

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

Theoretical aspects of photonic band gap in 1D nano structure of LN: MgLN periodic layer

International Nuclear Information System (INIS)

Sisodia, Namita

2015-01-01

By using the transfer matrix method, we have analyzed the photonic band gap properties in a periodic layer of LN:MgLN medium. The Width of alternate layers of LN and MgLN is in the range of hundred nanometers. The birefringent and ferroelectric properties of the medium (i.e ordinary, extraordinary refractive indices and electric dipole moment) is given due considerations in the formulation of photonic band gap. Effect of electronic transition dipole moment of the medium on photonic band gap is also taken into account. We find that photonic band gap can be modified by the variation in the ratio of the width of two medium. We explain our findings by obtaining numerical values and the effect on the photonic band gap due to variation in the ratio of alternate medium is shown graphically

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.

Programming of left hand exploits task set but that of right hand depends on recent history.

Science.gov (United States)

Tang, Rixin; Zhu, Hong

2017-07-01

There are many differences between the left hand and the right hand. But it is not clear if there is a difference in programming between left hand and right hand when the hands perform the same movement. In current study, we carried out two experiments to investigate whether the programming of two hands was equivalent or they exploited different strategies. In the first experiment, participants were required to use one hand to grasp an object with visual feedback or to point to the center of one object without visual feedback on alternate trials, or to grasp an object without visual feedback and to point the center of one object with visual feedback on alternating trials. They then performed the tasks with the other hand. The result was that previous pointing task affected current grasping when it was performed by the left hand, but not the right hand. In experiment 2, we studied if the programming of the left (or right) hand would be affected by the pointing task performed on the previous trial not only by the same hand, but also by the right (or left) hand. Participants pointed and grasped the objects alternately with two hands. The result was similar with Experiment 1, i.e., left-hand grasping was affected by right-hand pointing, whereas right-hand grasping was immune from the interference from left hand. Taken together, the results suggest that when open- and closed-loop trials are interleaved, motor programming of grasping with the right hand was affected by the nature of the online feedback on the previous trial only if it was a grasping trial, suggesting that the trial-to-trial transfer depends on sensorimotor memory and not on task set. In contrast, motor programming of grasping with the left hand can use information about the nature of the online feedback on the previous trial to specify the parameters of the movement, even when the type of movement that occurred was quite different (i.e., pointing) and was performed with the right hand. This suggests that

Ultrawide low frequency band gap of phononic crystal in nacreous composite material

International Nuclear Information System (INIS)

Yin, J.; Huang, J.; Zhang, S.; Zhang, H.W.; Chen, B.S.

2014-01-01

The band structure of a nacreous composite material is studied by two proposed models, where an ultrawide low frequency band gap is observed. The first model (tension-shear chain model) with two phases including brick and mortar is investigated to describe the wave propagation in the nacreous composite material, and the dispersion relation is calculated by transfer matrix method and Bloch theorem. The results show that the frequency ranges of the pass bands are quite narrow, because a special tension-shear chain motion in the nacreous composite material is formed by some very slow modes. Furthermore, the second model (two-dimensional finite element model) is presented to investigate its band gap by a multi-level substructure scheme. Our findings will be of great value to the design and synthesis of vibration isolation materials in a wide and low frequency range. Finally, the transmission characteristics are calculated to verify the results. - Highlights: • A Brick-and-Mortar structure is used to discuss wave propagation through nacreous materials. • A 1D Bloch wave solution of nacreous materials with a tension-shear chain model is obtained. • The band structure and transmission characteristics of nacreous materials with the FE model are examined. • An ultrawide low frequency band gap is found in nacreous materials with both theory and FE model

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

International Nuclear Information System (INIS)

Zhai, Hua-jin; Wang, Lai S.

2007-01-01

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

Mechanical Properties of a Library of Low-Band-Gap Polymers

DEFF Research Database (Denmark)

Roth, Bérenger; Savagatrup, Suchol; de los Santos, Nathaniel V.

2016-01-01

The mechanical properties of low-band-gap polymers are important for the long-term survivability of roll to-roll processed organic electronic devices. Such devices, e.g., solar cells, displays, and thin-film transistors, must survive the rigors of roll-to-roll coating and also thermal...... of low-band-gap polymers to better understand the connection between molecular structures and mechanical properties in order to design conjugated polymers that permit mechanical robustness and even extreme deformability. While one of the principal conclusions of these experiments is that the structure...... of an isolated molecule only partially determines the mechanical properties another important codeterminant is the packing structure some general trends can be identified. (1) Fused rings tend to increase the modulus and decrease the ductility. (2) Branched side chains have the opposite effect. Despite...

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

International Nuclear Information System (INIS)

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

2013-01-01

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

Three-dimensional ordered particulate structures: Method to retrieve characteristics from photonic band gap data

Science.gov (United States)

Miskevich, Alexander A.; Loiko, Valery A.

2015-01-01

A method to retrieve characteristics of ordered particulate structures, such as photonic crystals, is proposed. It is based on the solution of the inverse problem using data on the photonic band gap (PBG). The quasicrystalline approximation (QCA) of the theory of multiple scattering of waves and the transfer matrix method (TMM) are used. Retrieval of the refractive index of particles is demonstrated. Refractive indices of the artificial opal particles are estimated using the published experimental data.

Inverse problem of the vibrational band gap of periodically supported beam

Science.gov (United States)

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

2017-04-01

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

Design of ultra compact polarization splitter based on complete photonic band gap

Science.gov (United States)

Sinha, R. K.; Nagpal, Yogita

2005-11-01

Certain select structures in photonic crystals (PhCs) exhibit complete photonic band gap i.e. a frequency region where the photonic band gaps for both polarizations (i.e. transverse electric and transverse magnetic modes) exist and overlap. One of the most fundamental applications of the photonic band gap structures is the design of photonic crystal waveguides, which can be made by inserting linear defects in the photonic crystal structures. By setting closely two parallel 2D PhC waveguides, a directional waveguide coupler can be designed, which can be used to design a polarization splitter. In this paper we design a polarization splitter in a photonic crystal structure composed of two dimensional honeycomb pattern of dielectric rods in air. This photonic crystal structure exhibits a complete photonic band gap that extends from λ = 1.49 μm to λ = 1.61 μm, where lambda is the wavelength in free space, providing a large bandwidth of 120 nm. A polarization splitter can be made by designing a polarization selective coupler. The coupling lengths at various wavelengths for both polarizations have been calculated using the Finite Difference Time Domain method. It has been shown that the coupling length, for TE polarization is much smaller as compared to that for the TM polarization. This principle is used to design a polarization splitter of length 32 μm at λ = 1.55 μm. Further, the spectral response of the extinction ratios for both polarizations in the two waveguides at propagation distance of 32 μm has been studied.

Modeling charged defects inside density functional theory band gaps

International Nuclear Information System (INIS)

Schultz, Peter A.; Edwards, Arthur H.

2014-01-01

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

Band gap engineering of MoS{sub 2} upon compression

Energy Technology Data Exchange (ETDEWEB)

López-Suárez, Miquel, E-mail: miquel.lopez@nipslab.org [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, 06123 Perugia (Italy); Neri, Igor [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, 06123 Perugia (Italy); INFN Sezione di Perugia, via Pascoli, 06123 Perugia (Italy); Rurali, Riccardo [Institut de Ciència de Materials de Barcelona (ICMAB–CSIC) Campus de Bellaterra, 08193 Bellaterra, Barcelona (Spain)

2016-04-28

Molybdenum disulfide (MoS{sub 2}) is a promising candidate for 2D nanoelectronic devices, which shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS{sub 2} upon both compressive and tensile strains with first-principles density-functional calculations for different number of layers. The results show that the band-gap can be engineered for experimentally attainable strains (i.e., ±0.15). However, compressive strain can result in bucking that can prevent the use of large compressive strain. We then studied the stability of the compression, calculating the critical strain that results in the on-set of buckling for free-standing nanoribbons of different lengths. The results demonstrate that short structures, or few-layer MoS{sub 2}, show semi-conductor to metal transition upon compressive strain without bucking.

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.

Passive band-gap reconfiguration born from bifurcation asymmetry.

Science.gov (United States)

Bernard, Brian P; Mann, Brian P

2013-11-01

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

Band gap narrowing and fluorescence properties of nickel doped SnO2 nanoparticles

International Nuclear Information System (INIS)

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

2011-01-01

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

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

Analysis of photonic band gap in novel piezoelectric photonic crystal

Science.gov (United States)

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

2018-03-01

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

Mirrors in the PDB: left-handed alpha-turns guide design with D-amino acids.

Science.gov (United States)

Annavarapu, Srinivas; Nanda, Vikas

2009-09-22

Incorporating variable amino acid stereochemistry in molecular design has the potential to improve existing protein stability and create new topologies inaccessible to homochiral molecules. The Protein Data Bank has been a reliable, rich source of information on molecular interactions and their role in protein stability and structure. D-amino acids rarely occur naturally, making it difficult to infer general rules for how they would be tolerated in proteins through an analysis of existing protein structures. However, protein elements containing short left-handed turns and helices turn out to contain useful information. Molecular mechanisms used in proteins to stabilize left-handed elements by L-amino acids are structurally enantiomeric to potential synthetic strategies for stabilizing right-handed elements with D-amino acids. Propensities for amino acids to occur in contiguous alpha(L) helices correlate with published thermodynamic scales for incorporation of D-amino acids into alpha(R) helices. Two backbone rules for terminating a left-handed helix are found: an alpha(R) conformation is disfavored at the amino terminus, and a beta(R) conformation is disfavored at the carboxy terminus. Helix capping sidechain-backbone interactions are found which are unique to alpha(L) helices including an elevated propensity for L-Asn, and L-Thr at the amino terminus and L-Gln, L-Thr and L-Ser at the carboxy terminus. By examining left-handed alpha-turns containing L-amino acids, new interaction motifs for incorporating D-amino acids into right-handed alpha-helices are identified. These will provide a basis for de novo design of novel heterochiral protein folds.

Band Structure and Quantum Confined Stark Effect in InN/GaN superlattices

DEFF Research Database (Denmark)

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

2012-01-01

InN/GaN superlattices offer an important way of band gap engineering in the blue-green range of the spectrum. This approach represents a more controlled method than the band gap tuning in quantum well systems by application of InGaN alloys. The electronic structures of short-period wurtzite InN/G...... wells and barriers one may tune band gaps over a wide spectral range, which provides flexibility in band gap engineering.......InN/GaN superlattices offer an important way of band gap engineering in the blue-green range of the spectrum. This approach represents a more controlled method than the band gap tuning in quantum well systems by application of InGaN alloys. The electronic structures of short-period wurtzite In......N/GaN(0001) superlattices are investigated, and the variation of the band gap with the thicknesses of the well and the barrier is discussed. Superlattices of the form mInN/nGaN with n ≥ m are simulated using band structure calculations in the Local Density Approximation with a semiempirical correction...

Designing broad phononic band gaps for in-plane modes

Science.gov (United States)

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

2018-03-01

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

Tunable band gaps in graphene/GaN van der Waals heterostructures

International Nuclear Information System (INIS)

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

2014-01-01

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

Simultaneous microwave photonic and phononic band gaps in piezoelectric–piezomagnetic superlattices with three types of domains in a unit cell

Energy Technology Data Exchange (ETDEWEB)

Tang, Zheng-hua [Xiangnan University-Gospell Joint Laboratory of Microwave Communication Technology, Xiangnan University, Chenzhou 423000 (China); Jiang, Zheng-Sheng [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Chen, Tao [Laboratory of Quantum Information and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Lei, Da-Jun [Xiangnan University-Gospell Joint Laboratory of Microwave Communication Technology, Xiangnan University, Chenzhou 423000 (China); Yan, Wen-Yan, E-mail: yanwenyan88@126.com [School of Software and Communication Engineering, Xiangnan University, Chenzhou 423000 (China); Qiu, Feng; Huang, Jian-Quan; Deng, Hai-Ming; Yao, Min [Xiangnan University-Gospell Joint Laboratory of Microwave Communication Technology, Xiangnan University, Chenzhou 423000 (China)

2016-04-29

A novel phoxonic crystal using the piezoelectric (PMN-PT) and piezomagnetic (CoFe{sub 2}O{sub 4}) superlattices with three types of domains in a unit cell (PPSUC) is present, in which dual microwave photonic and phononic band gaps can be obtained simultaneously. Two categories of phononic band gaps, originating from both the Bragg scattering of acoustic waves in periodic structures at the Brillouin zone boundary and the electromagnetic wave-lattice vibration couplings near the Brillouin zone center, can be observed in the phononic band structures. The general characteristics of the microwave photonic band structures are similar to those of pure piezoelectric or piezomagnetic superlattices, with the major discrepancy being the appearance of nearly dispersionless branches within the microwave photonic band gaps, which show an extremely large group velocity delay. Thus, the properties may also be applied to compact acoustic-microwave devices. - Highlights: • Dual microwave photonic and phononic band gaps can coexist in the PPSUC. • Two categories of phononic band gaps with different mechanism can be obtained. • Nearly dispersionless branches appear in the microwave photonic band gaps.

Tunable band structures of polycrystalline graphene by external and mismatch strains

Institute of Scientific and Technical Information of China (English)

Jiang-Tao Wu; Xing-Hua Shi; Yu-Jie Wei

2012-01-01

Lacking a band gap largely limits the application of graphene in electronic devices.Previous study shows that grain boundaries (GBs) in polycrystalline graphene can dramatically alter the electrical properties of graphene.Here,we investigate the band structure of polycrystalline graphene tuned by externally imposed strains and intrinsic mismatch strains at the GB by density functional theory (DFT) calculations.We found that graphene with symmetrical GBs typically has zero band gap even with large uniaxial and biaxial strain.However,some particular asymmetrical GBs can open a band gap in graphene and their band structures can be substantially tuned by external strains.A maximum band gap about 0.19 eV was observed in matched-armchair GB (5,5) | (3,7) with a misorientation of θ =13° when the applied uniaxial strain increases to 9％.Although mismatch strain is inevitable in asymmetrical GBs,it has a small influence on the band gap of polycrystalline graphene.

Band Gap Engineering of Titania Systems Purposed for Photocatalytic Activity

Science.gov (United States)

Thurston, Cameron

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

Band gap effects of hexagonal boron nitride using oxygen plasma

International Nuclear Information System (INIS)

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

2014-01-01

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

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.

Structural phase change and optical band gap bowing in hot wall deposited CdSe{sub x}Te{sub 1-x} thin films

Energy Technology Data Exchange (ETDEWEB)

Muthukumarasamy, N. [Department of Physics, Coimbatore Institute of Technology, Coimbatore, Tamilnadu (India); Jayakumar, S.; Kannan, M.D.; Balasundaraprabhu, R. [Thin Film Center, PSG College of Technology, Coimbatore, Tamilnadu (India)

2009-04-15

CdSe{sub x}Te{sub 1-x} thin films of different compositions have been deposited on glass substrates by hot wall deposition method under conditions very close to thermodynamical equilibrium with minimum loss of material. The structural studies carried out on the deposited films revealed that they are crystalline in nature and exhibit either cubic zinc blende or hexagonal phase or both depending on the composition of the material. The lattice parameter values for both cubic and hexagonal phases have been determined and are observed to vary with composition according to Vegard's law. The optical properties of the deposited CdSe{sub x}Te{sub 1-x} thin films have been studied using transmittance spectra. The spectra shows a sharp fall in transmittance at wavelength corresponding to the band gap of the material. The optical band gap has been determined and found to be direct allowed. The band gap has been observed to strongly depend on film composition. The variation of band gap with composition has been observed to be quadratic in nature exhibiting a bowing behaviour. (author)

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

International Nuclear Information System (INIS)

Tachikawa, Hiroto; Iyama, Tetsuji; Kawabata, Hiroshi

2014-01-01

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

Measurement of the band gap by reflection electron energy loss spectroscopy

Energy Technology Data Exchange (ETDEWEB)

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

2016-10-15

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

Measurement of the band gap by reflection electron energy loss spectroscopy

International Nuclear Information System (INIS)

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

2016-01-01

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

Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

Science.gov (United States)

Degirmenci, Elif; Landais, Pascal

2013-10-20

Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

Temperature effects on the band gaps of Lamb waves in a one-dimensional phononic-crystal plate (L).

Science.gov (United States)

Cheng, Y; Liu, X J; Wu, D J

2011-03-01

This study investigates the temperature-tuned band gaps of Lamb waves in a one-dimensional phononic-crystal plate, which is formed by alternating strips of ferroelectric ceramic Ba(0.7)Sr(0.3)TiO(3) and epoxy. The sensitive and continuous temperature-tunability of Lamb wave band gaps is demonstrated using the analyses of the band structures and the transmission spectra. The width and position of Lamb wave band gaps shift prominently with variation of temperature in the range of 26 °C-50 °C. For example, the width of the second band gap increases from 0.066 to 0.111 MHz as the temperature is increased from 26 °C to 50 °C. The strong shift promises that the structure could be suitable for temperature-tuned multi-frequency Lamb wave filters. © 2011 Acoustical Society of America

P-polarized surface waves in a slab waveguide with left-handed material for sensing applications

International Nuclear Information System (INIS)

Taya, Sofyan A.

2015-01-01

In this paper, surface waves excited at the interface between left-handed and right-handed materials are employed for sensing applications. The propagation of p-polarized (TM) surface waves in a three-layer slab waveguide structure with air core layer as an analyte and anisotropic left-handed materials as claddings is investigated for detection of any changes in the refractive index of the analyte. The dispersion equations and the sensitivity of the effective refractive index to any change in the air layer index are derived, plotted, and discussed in details. The field profile is also explored. It is found that the sensitivity of the proposed surface wave sensor is almost independent of the wavelength of the propagating wave. A considerable sensitivity improvement can be obtained with the increase of transverse components of the left-handed material permittivity. - Highlights: • P-polarized surface waves in a three-layer slab waveguide are employed for sensing applications. • The structure contains air core layer as an analyte and anisotropic left-handed material in the claddings. • The sensitivity is found to be almost independent of the wavelength of the propagating wave. • Unusual sensitivity enhancement is observed as the transverse components of the LHM permittivity increase. • The asymmetric waveguide structure exhibits much higher sensitivity compared to the symmetric one

Tunable band gap and optical properties of surface functionalized Sc2C monolayer

International Nuclear Information System (INIS)

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

2017-01-01

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

Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation

Science.gov (United States)

Jiang, Hong

2013-04-01

The semi-local Becke-Johnson (BJ) exchange-correlation potential and its modified form proposed by Tran and Blaha (TB-mBJ) have attracted a lot of interest recently because of the surprisingly accurate band gaps they can deliver for many semiconductors and insulators. In this work, we have investigated the performance of the TB-mBJ potential for the description of electronic band structures in a comprehensive set of semiconductors and insulators. We point out that a perturbative use of the TB-mBJ potential can give overall better results. By investigating a set of IIB-VI and III-V semiconductors, we point out that although the TB-mBJ approach can describe the band gap of these materials quite well, the binding energies of semi-core d-states in these materials deviate strongly from experiment. The difficulty of the TB-mBJ potential to describe the localized states is likely the cause for the fact that the electronic band structures of Cu2O and La2O3 are still poorly described. Based on these observations, we propose to combine the TB-mBJ approach with the Hubbard U correction for localized d/f states, which is able to provide overall good descriptions for both the band gaps and semi-core states binding energies. We further apply the approach to calculate the band gaps of a set of Ti(IV)-oxides, many of which have complicated structures so that the more advanced methods like GW are expensive to treat directly. An overall good agreement with experiment is obtained, which is remarkable considering its little computational efforts compared to GW.

Negative refractions by triangular lattice sonic crystals in partial band gaps

International Nuclear Information System (INIS)

Alagoz, S.; Sahin, A.; Alagoz, B. B.; Nur, S.

2015-01-01

This study numerically demonstrates the effects of partial band gaps on the negative refraction properties of sonic crystal. The partial band gap appearing at the second band edge leads to the efficient transmissions of scattered wave envelopes in the transverse directions inside triangular lattice sonic crystal, and therefore enhances the refraction property of sonic crystal. Numerical simulation results indicate a diagonal guidance of coupled scattered wave envelopes inside crystal structure at the partial band gap frequencies and then output waves are restored in the vicinity of the output interface of sonic crystal by combining phase coherent scattered waves according to Huygens’ principles. This mechanism leads to two operations for wavefront engineering: one is spatial wavefront shifting operation and the other is convex–concave wavefront inversion operation. The effects of this mechanism on the negative refraction and wave focalization are investigated by using the finite difference time domain (FDTD) simulations. This study contributes to a better understanding of negative refraction and wave focusing mechanisms at the band edge frequencies, and shows the applications of the slab corner beam splitting and SC-air multilayer acoustic system. (paper)

Mirrors in the PDB: left-handed α-turns guide design with D-amino acids

Directory of Open Access Journals (Sweden)

Nanda Vikas

2009-09-01

Full Text Available Abstract Background Incorporating variable amino acid stereochemistry in molecular design has the potential to improve existing protein stability and create new topologies inaccessible to homochiral molecules. The Protein Data Bank has been a reliable, rich source of information on molecular interactions and their role in protein stability and structure. D-amino acids rarely occur naturally, making it difficult to infer general rules for how they would be tolerated in proteins through an analysis of existing protein structures. However, protein elements containing short left-handed turns and helices turn out to contain useful information. Molecular mechanisms used in proteins to stabilize left-handed elements by L-amino acids are structurally enantiomeric to potential synthetic strategies for stabilizing right-handed elements with D-amino acids. Results Propensities for amino acids to occur in contiguous αL helices correlate with published thermodynamic scales for incorporation of D-amino acids into αR helices. Two backbone rules for terminating a left-handed helix are found: an αR conformation is disfavored at the amino terminus, and a βR conformation is disfavored at the carboxy terminus. Helix capping sidechain-backbone interactions are found which are unique to αL helices including an elevated propensity for L-Asn, and L-Thr at the amino terminus and L-Gln, L-Thr and L-Ser at the carboxy terminus. Conclusion By examining left-handed α-turns containing L-amino acids, new interaction motifs for incorporating D-amino acids into right-handed α-helices are identified. These will provide a basis for de novo design of novel heterochiral protein folds.

Structure and red shift of optical band gap in CdO–ZnO nanocomposite synthesized by the sol gel method

Energy Technology Data Exchange (ETDEWEB)

Mosquera, Edgar, E-mail: edemova@ing.uchile.cl [Laboratorio de Materiales a Nanoescala, Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2069, Santiago (Chile); Pozo, Ignacio del, E-mail: ignacio.dpf@gmail.com [Facultad de Ciencias Naturales, Matemáticas y del Medio Ambiente, Universidad Tecnológica Metropolitana, Av. José Pedro Alessandri 1242, Santiago (Chile); Morel, Mauricio, E-mail: mmorel@ing.uchile.cl [Laboratorio de Materiales a Nanoescala, Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2069, Santiago (Chile)

2013-10-15

The structure and the optical band gap of CdO–ZnO nanocomposites were studied. Characterization using X-ray diffraction (XRD), transmission electron microscopy (TEM) and diffuse reflectance spectroscopy (DRS) analysis confirms that CdO phase is present in the nanocomposites. TEM analysis confirms the formation of spheroidal nanoparticles and nanorods. The particle size was calculated from Debey–Sherrer′s formula and corroborated by TEM images. FTIR spectroscopy shows residual organic materials (aromatic/Olefinic carbon) from nanocomposites surface. CdO content was modified in the nanocomposites in function of polyvinylalcohol (PVA) added. The optical band gap is found to be red shift from 3.21 eV to 3.11 eV with the increase of CdO content. Photoluminescence (PL) measurements reveal the existence of defects in the synthesized CdO–ZnO nanocomposites. - Graphical abstract: Optical properties of ZnO, CdO and ZnO/CdO nanoparticles. Display Omitted - Highlights: • TEM analysis confirms the presence of spherical nanoparticles and nanorods. • The CdO phase is present in the nanocomposites. • The band gap of the CdO–ZnO nanocomposites is slightly red shift with CdO content. • PL emission of CdO–ZnO nanocomposite are associated to structural defects.

A Printed Xi-Shaped Left-Handed Metamaterial on Low-Cost Flexible Photo Paper.

Science.gov (United States)

Ashraf, Farhad Bin; Alam, Touhidul; Islam, Mohammad Tariqul

2017-07-05

A Xi-shaped meta structure, has been introduced in this paper. A modified split-ring resonator (MSRR) and a capacitive loaded strip (CLS) were used to achieve the left-handed property of the metamaterial. The structure was printed using silver metallic nanoparticle ink, using a very low-cost photo paper as a substrate material. Resonators were inkjet-printed using silver nanoparticle metallic ink on paper to make this metamaterial flexible. It is also free from any kind of chemical waste, which makes it eco-friendly. A double negative region from 8.72 GHz to 10.91 GHz (bandwidth of 2.19 GHz) in the X-band microwave spectra was been found. Figure of merit was also obtained to measure any loss in the double negative region. The simulated result was verified by the performance of the fabricated prototype. The total dimensions of the proposed structure were 0.29 λ × 0.29 λ × 0.007 λ . It is a promising unit cell because of its simplicity, cost-effectiveness, and easy fabrication process.

Ab-initio electronic band structure calculations for beryllium chalcogenides

International Nuclear Information System (INIS)

Kalpana, G.; Pari, G.; Yousuf, Mohammad

1997-01-01

The first principle tight-binding linear muffin-tin orbital method within the local density approximation (LDA) has been used to calculate the ground state properties, structural phase transition and pressure dependence of band gap of BeS, BeSe and BeTe. We have calculated the energy-volume relations for these compounds in the B3 and B8 phases. The calculated lattice parameters, bulk modulus and the pressure-volume relation were found to be in good agreement with the recent experimental results. The calculated B3→B8 structural transition pressure for BeS, BeSe and BeTe agree well with the recent experimental results. Our calculations show that these compounds are indirect band gap (Γ-X) semiconductors at ambient conditions. The calculated band gap values are found to be underestimated by 20-30% which is due to the usage of LDA. After the structural transition to the B8 phase, BeS continues to be indirect band gap semiconductors and ultimately above 100 GPa it metallises, BeSe and BeTe are metallic at the B3→B8 structural transition. (author)

Left-Handed W bosons at the LHC

International Nuclear Information System (INIS)

Dixon, Lance

2011-01-01

The production of W bosons in association with jets is an important background to new physics at the LHC. Events in which the W carries large transverse momentum and decays leptonically lead to large missing energy and are of particular importance. We show that the left-handed nature of the W coupling, combined with valence quark domination at a pp machine, leads to a large left-handed polarization for both W + and W - bosons at large transverse momenta. The polarization fractions are very stable with respect to QCD corrections. The leptonic decay of the W +- bosons translates the common left-handed polarization into a strong asymmetry in transverse momentum distributions between positrons and electrons, and between neutrinos and anti-neutrinos (missing transverse energy). Such asymmetries may provide an effective experimental handle on separating W +jets from top quark production, which exhibits very little asymmetry due to C invariance, and from various types of new physics.

Left-Handed W bosons at the LHC

Energy Technology Data Exchange (ETDEWEB)

Bern, Z.; /UCLA; Diana, G.; /Saclay, SPhT; Dixon, L.J.; /CERN /SLAC; Cordero, F.Febres; /Simon Bolivar U.; Forde, D.; /Simon Bolivar U. /NIKHEF, Amsterdam; Gleisberg, T.; Hoeche, S.; /SLAC; Ita, H.; /UCLA; Kosower, D.A.; /Saclay, SPhT; Maitre, D.; /CERN /Durham U.; Ozeren, K.; /UCLA

2011-05-20

The production of W bosons in association with jets is an important background to new physics at the LHC. Events in which the W carries large transverse momentum and decays leptonically lead to large missing energy and are of particular importance. We show that the left-handed nature of the W coupling, combined with valence quark domination at a pp machine, leads to a large left-handed polarization for both W{sup +} and W{sup -} bosons at large transverse momenta. The polarization fractions are very stable with respect to QCD corrections. The leptonic decay of the W{sup +-} bosons translates the common left-handed polarization into a strong asymmetry in transverse momentum distributions between positrons and electrons, and between neutrinos and anti-neutrinos (missing transverse energy). Such asymmetries may provide an effective experimental handle on separating W +jets from top quark production, which exhibits very little asymmetry due to C invariance, and from various types of new physics.

Right-handed quark mixings in minimal left-right symmetric model with general CP violation

International Nuclear Information System (INIS)

Zhang Yue; Ji Xiangdong; An Haipeng; Mohapatra, R. N.

2007-01-01

We solve systematically for the right-handed quark mixings in the minimal left-right symmetric model which generally has both explicit and spontaneous CP violations. The leading-order result has the same hierarchical structure as the left-handed Cabibbo-Kobayashi-Maskawa mixing, but with additional CP phases originating from a spontaneous CP-violating phase in the Higgs vacuum expectation values. We explore the phenomenology entailed by the new right-handed mixing matrix, particularly the bounds on the mass of W R and the CP phase of the Higgs vacuum expectation values

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

Science.gov (United States)

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

2018-01-01

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

Degeneracy analysis for a supercell of a photonic crystal and its application to the creation of band gaps

International Nuclear Information System (INIS)

Wu Liang; Zhuang Fie; He Sailing

2003-01-01

A method is introduced to analyze the degeneracy properties of the band structure of a photonic crystal by making use of supercells. The band structure associated with a supercell of a photonic crystal has degeneracies at the edge of the Brillouin zone if the photonic crystal has some kind of point group symmetry. The E-polarization and H-polarization cases have the same degeneracies for a two-dimensional (2D) photonic crystal. Two theorems on degeneracies in the band structure associated with the supercell are given and proved. These degeneracies can be lifted to create photonic band gaps by changing the translation group symmetry of the photonic crystal (the point group symmetry of the photonic crystal may remain unchanged), which consequently changes the transform matrix between the supercell and the smallest unit cell. The existence of photonic band gaps for many known 2D photonic crystals is explained through the degeneracy analysis. Some structures with large band gaps are also found through the present degeneracy analysis

Band gap engineering for graphene by using Na+ ions

International Nuclear Information System (INIS)

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

2014-01-01

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

Effect of Pd ion doping in the band gap of SnO{sub 2} nanoparticles: structural and optical studies

Energy Technology Data Exchange (ETDEWEB)

Nandan, Brajesh; Venugopal, B. [Pondicherry University, Centre for Nanoscience and Technology (India); Amirthapandian, S.; Panigrahi, B. K. [Indira Gandhi Centre for Atomic Research, Ion Beam and Computer Simulation Section, Materials Science Group (India); Thangadurai, P., E-mail: thangadurai.p@gmail.com [Pondicherry University, Centre for Nanoscience and Technology (India)

2013-10-15

Pd ion doping has influenced the band gap of SnO{sub 2} nanoparticles. Undoped and Pd ion-doped SnO{sub 2} nanoparticles were synthesized by chemical co-precipitation method. A tetragonal phase of SnO{sub 2} with a grain size range of 7-13 nm was obtained (studied by X-ray diffraction and transmission electron microscopy). A decreasing trend in the particle size with increasing doping concentration was observed. The presence of Pd in doped SnO{sub 2} was confirmed by chemical analysis carried out by energy-dispersive spectroscopy in the transmission electron microscope. Diffuse reflectance spectra showed a blue shift in absorption with increasing palladium concentration. Band gap of SnO{sub 2} nanoparticles was estimated from the diffuse reflectance spectra using Kubelka-Munk function and it was increasing with the increase of Pd ion concentration from 3.73 to 4.21 eV. The variation in band gap is attributed predominantly to the lattice strain and particle size. All the samples showed a broad photoluminescence emission centered at 375 nm when excited at 270 nm. A systematic study on the structural and optical properties of SnO{sub 2} nanoparticles is presented.

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Symmetries and band gaps in nanoribbons

Science.gov (United States)

Zhang, Zhiwei; Tian, Yiteng; Fernando, Gayanath; Kocharian, Armen

In ideal graphene-like systems, time reversal and sublattice symmetries preserve the degeneracies at the Dirac point(s). We have examined such degeneracies in the band structure as well as the transport properties in various arm-twisted (graphene-related) nanoribbons. A twist angle is defined such that at 0 degrees the ribbon is a rectangular ribbon and at 60 degrees the ribbon is cut from a honeycomb lattice. Using model Hamiltonians and first principles calculations in these nanoribbons with Z2 topology, we have monitored the band structure as a function of the twist angle θ. In twisted ribbons, it turns out that the introduction of an extra hopping term leads to a gap opening. We have also calculated the size and temperature broadening effects in similar ribbons in addition to Rashba-induced transport properties. The authors acknowledge the computing facilities provided by the Center for Functional Nanomaterials, Brookhaven National Laboratory supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No.DE-AC02- 98CH10886.

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.

Kaolinite: Defect defined material properties – A soft X-ray and first principles study of the band gap

International Nuclear Information System (INIS)

Pietzsch, A.; Nisar, J.; Jämstorp, E.; Gråsjö, J.; Århammar, C.; Ahuja, R.; Rubensson, J.-E.

2015-01-01

Highlights: • The respective electronic structure of synthetic and natural kaolinite is compared. • The size of the band gap and thus many important material properties are defined by defect states in the band gap. • The oxygen-based defect states are identified and analyzed. • The band gap of kaolinite decreases significantly due to the forming of defects. - Abstract: By combining X-ray absorption spectroscopy and first principles calculations we have determined the electronic structure of synthetic and natural kaolinite as a model system for engineered and natural clay materials. We have analyzed defect states in the band gap and find that both natural and synthetic kaolinite contain defects where oxygen replaces hydrogen in one of the Al (0 0 1)-hydroxyl groups of the kaolinite clay sheets. The band gap of both synthetic and natural kaolinite is found to decrease by about 3.2 eV as this defect is formed

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-01-15

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

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...

Metallic photonic band-gap materials

International Nuclear Information System (INIS)

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

1995-01-01

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

Two-dimensional microwave band-gap structures of different ...

Indian Academy of Sciences (India)

- stant and/or magnetic permeability (or in particular impedance) are periodic and the propagation of electromagnetic waves is forbidden at certain frequencies when allowed to pass through these structures. This is similar to the electronic band.

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.

Observation of large photonic band gaps and defect modes in one-dimensional networked waveguides

CERN Document Server

Mir, A; Vasseur, J O; Djafari-Rouhani, B; Fettouhi, N; Boudouti, E H E; Dobrzynski, L; Zemmouri, J

2003-01-01

The photonic band structures and transmission spectra of serial loop structures (SLSs), made of loops pasted together with segments of finite length, are investigated experimentally and theoretically. These monomode structures, composed of one-dimensional dielectric materials, may exhibit large stop bands where the propagation of electromagnetic waves is forbidden. The width of these band gaps depends on the geometrical and compositional parameters of the structure and may be drastically increased in a tandem geometry made up of several successive SLSs which differ in their physical characteristics. These SLSs may have potential applications as ultrawide-band filters.

Left hand tactile agnosia after posterior callosal lesion.

Science.gov (United States)

Balsamo, Maddalena; Trojano, Luigi; Giamundo, Arcangelo; Grossi, Dario

2008-09-01

We report a patient with a hemorrhagic lesion encroaching upon the posterior third of the corpus callosum but sparing the splenium. She showed marked difficulties in recognizing objects and shapes perceived through her left hand, while she could appreciate elementary sensorial features of items tactually presented to the same hand flawlessly. This picture, corresponding to classical descriptions of unilateral associative tactile agnosia, was associated with finger agnosia of the left hand. This very unusual case report can be interpreted as an instance of disconnection syndrome, and allows a discussion of mechanisms involved in tactile object recognition.

Analysis of optical band-gap shift in impurity doped ZnO thin films by using nonparabolic conduction band parameters

International Nuclear Information System (INIS)

Kim, Won Mok; Kim, Jin Soo; Jeong, Jeung-hyun; Park, Jong-Keuk; Baik, Young-Jun; Seong, Tae-Yeon

2013-01-01

Polycrystalline ZnO thin films both undoped and doped with various types of impurities, which covered the wide carrier concentration range of 10 16 –10 21 cm −3 , were prepared by magnetron sputtering, and their optical-band gaps were investigated. The experimentally measured optical band-gap shifts were analyzed by taking into account the carrier density dependent effective mass determined by the first-order nonparabolicity approximation. It was shown that the measured shifts in optical band-gaps in ZnO films doped with cationic dopants, which mainly perturb the conduction band, could be well represented by theoretical estimation in which the band-gap widening due to the band-filling effect and the band-gap renormalization due to the many-body effect derived for a weakly interacting electron-gas model were combined and the carrier density dependent effective mass was incorporated. - Highlights: ► Optical band-gaps of polycrystalline ZnO thin films were analyzed. ► Experimental carrier concentration range covered from 10 16 to 10 21 cm −3 . ► Nonparabolic conduction band parameters were used in theoretical analysis. ► The band-filling and the band-gap renormalization effects were considered. ► The measured optical band-gap shifts corresponded well with the calculated ones

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

Science.gov (United States)

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

2018-05-01

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

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

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

Science.gov (United States)

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

2018-02-01

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

Effects of corrugation shape on frequency band-gaps for longitudinal wave motion in a periodic elastic layer

DEFF Research Database (Denmark)

Sorokin, Vladislav

2016-01-01

The paper concerns determining frequency band-gaps for longitudinal wave motion in a periodic waveguide. The waveguide may be considered either as an elastic layer with variable thickness or as a rod with variable cross section. As a result, widths and locations of all frequency band-gaps are det......The paper concerns determining frequency band-gaps for longitudinal wave motion in a periodic waveguide. The waveguide may be considered either as an elastic layer with variable thickness or as a rod with variable cross section. As a result, widths and locations of all frequency band......, harmonic in the corrugation series. The revealed insights into the mechanism of band-gap formation can be used to predict locations and widths of all frequency band-gaps featured by any corrugation shape. These insights are general and can be valid also for other types of wave motion in periodic structures...

Band Structure Characteristics of Nacreous Composite Materials with Various Defects

Science.gov (United States)

Yin, J.; Zhang, S.; Zhang, H. W.; Chen, B. S.

2016-06-01

Nacreous composite materials have excellent mechanical properties, such as high strength, high toughness, and wide phononic band gap. In order to research band structure characteristics of nacreous composite materials with various defects, supercell models with the Brick-and-Mortar microstructure are considered. An efficient multi-level substructure algorithm is employed to discuss the band structure. Furthermore, two common systems with point and line defects and varied material parameters are discussed. In addition, band structures concerning straight and deflected crack defects are calculated by changing the shear modulus of the mortar. Finally, the sensitivity of band structures to the random material distribution is presented by considering different volume ratios of the brick. The results reveal that the first band gap of a nacreous composite material is insensitive to defects under certain conditions. It will be of great value to the design and synthesis of new nacreous composite materials for better dynamic properties.

Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

Science.gov (United States)

Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

2015-01-01

In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

Band structure of CdTe under high pressure

International Nuclear Information System (INIS)

Jayam, Sr. Gerardin; Nirmala Louis, C.; Amalraj, A.

2005-01-01

The band structures and density of states of cadmium telluride (CdTe) under various pressures ranging from normal to 4.5 Mbar are obtained. The electronic band structure at normal pressure of CdTe (ZnS structure) is analyzed and the direct band gap value is found to be 1.654 eV. CdTe becomes metal and superconductor under high pressure but before that it undergoes structural phase transition from ZnS phase to NaCl phase. The equilibrium lattice constant, bulk modulus and the phase transition pressure at which the compounds undergo structural phase transition from ZnS to NaCl are predicted from the total energy calculations. The density of states at the Fermi level (N(E F )) gets enhanced after metallization, which leads to the superconductivity in CdTe. In our calculation, the metallization pressure (P M = 1.935 Mbar) and the corresponding reduced volume ((V/V 0 ) M = 0.458) are estimated. Metallization occurs via direct closing of band gap at Γ point. (author)

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.

Band gap of corundumlike α -Ga2O3 determined by absorption and ellipsometry

Science.gov (United States)

Segura, A.; Artús, L.; Cuscó, R.; Goldhahn, R.; Feneberg, M.

2017-07-01

The electronic structure near the band gap of the corundumlike α phase of Ga2O3 has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400-190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which yields an exciton binding energy of 110 meV and direct band gaps of 5.61 and 6.44 eV. The large broadening of the absorption onset is related to the slightly indirect character of the material.

Thermal evolution of the band edges of 6H-SiC: X-ray methods compared to the optical band gap

International Nuclear Information System (INIS)

Miedema, P.S.; Beye, M.; Könnecke, R.; Schiwietz, G.; Föhlisch, A.

2014-01-01

Highlights: • Conduction band minima (CBM) of 6H-SiC are estimated with Si 2p XAS. • Valence band maxima (VBM) of 6H-SiC are estimated with non-resonant Si 2p XES. • Temperature-dependent VBM and CBM of 6H-SiC show asymmetric band gap closing. • XAS, XES and RIXS band gap estimates are compared with the optical band gap. • XAS + XES versus optical band gap provides core-excitonic screening energies. - Abstract: The band gap of semiconductors like silicon and silicon carbide (SiC) is the key for their device properties. In this research, the band gap of 6H-SiC and its temperature dependence were analyzed with silicon 2p X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS) allowing for a separate analysis of the conduction-band minimum (CBM) and valence-band maximum (VBM) components of the band gap. The temperature-dependent asymmetric band gap shrinking of 6H-SiC was determined with a valence-band slope of +2.45 × 10 −4 eV/K and a conduction-band slope of −1.334 × 10 −4 eV/K. The apparent asymmetry, e.g., that two thirds of the band-gap shrinking with increasing temperature is due to the VBM evolution in 6H-SiC, is similar to the asymmetry obtained for pure silicon before. The overall band gap temperature-dependence determined with XAS and non-resonant XES is compared to temperature-dependent optical studies. The core-excitonic binding energy appearing in the Si 2p XAS is extracted as the main difference. In addition, the energy loss of the onset of the first band in RIXS yields to values similar to the optical band gap over the tested temperature range

Specialization of the left supramarginal gyrus for hand-independent praxis representation is not related to hand dominance

Science.gov (United States)

Króliczak, Gregory; Piper, Brian J.; Frey, Scott H.

2016-01-01

Data from focal brain injury and functional neuroimaging studies implicate a distributed network of parieto-fronto-temporal areas in the human left cerebral hemisphere as playing distinct roles in the representation of meaningful actions (praxis). Because these data come primarily from right-handed individuals, the relationship between left cerebral specialization for praxis representation and hand dominance remains unclear. We used functional magnetic resonance imaging (fMRI) to evaluate the hypothesis that strongly left-handed (right hemisphere motor dominant) adults also exhibit this left cerebral specialization. Participants planned familiar actions for subsequent performance with the left or right hand in response to transitive (e.g., “pounding”) or intransitive (e.g. “waving”) action words. In linguistic control trials, cues denoted non-physical actions (e.g., “believing”). Action planning was associated with significant, exclusively left-lateralized and extensive increases of activity in the supramarginal gyrus (SMg), and more focal modulations in the left caudal middle temporal gyrus (cMTg). This activity was hand- and gesture-independent, i.e., unaffected by the hand involved in subsequent action performance, and the type of gesture (i.e., transitive or intransitive). Compared directly with right-handers, left-handers exhibited greater involvement of the right angular gyrus (ANg) and dorsal premotor cortex (dPMC), which is indicative of a less asymmetric functional architecture for praxis representation. We therefore conclude that the organization of mechanisms involved in planning familiar actions is influenced by one’s motor dominance. However, independent of hand dominance, the left SMg and cMTg are specialized for ideomotor transformations—the integration of conceptual knowledge and motor representations into meaningful actions. These findings support the view that higher-order praxis representation and lower-level motor dominance rely

Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions.

Science.gov (United States)

Dixit, H; Lamoen, D; Partoens, B

2013-01-23

CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.

Left-handed materials in metallic magnetic granular composites

International Nuclear Information System (INIS)

Chui, S.T.; Lin, Z.F.; Hu, L.-B.

2003-01-01

There is recently interests in the 'left-handed' materials. In these materials the direction of the wave vector of electromagnetic radiation is opposite to the direction of the energy flow. We present simple arguments that suggests that magnetic composites can also be left-handed materials. However, the physics involved seems to be different from the original argument. In our argument, the imaginary part of the dielectric constant is much larger than the real part, opposite to the original argument

Band gap tuning in transition metal oxides by site-specific substitution

Science.gov (United States)

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

2013-12-24

A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

Laser-induced band-gap collapse in GaAs

Science.gov (United States)

Glezer, E. N.; Siegal, Y.; Huang, L.; Mazur, E.

1995-03-01

We present experimentally determined values of the dielectric constant of GaAs at photon energies of 2.2 and 4.4 eV following excitation of the sample with 1.9-eV, 70-fs laser pulses spanning a fluence range from 0 to 2.5 kJ/m2. The data show that the response of the dielectric constant to the excitation is dominated by changes in the electronic band structure and not by the optical susceptibility of the excited free carriers. The behavior of the dielectric constant indicates a drop in the average bonding-antibonding splitting of GaAs following the laser-pulse excitation. This drop in the average splitting leads to a collapse of the band gap on a picosecond time scale for excitation at fluences near the damage threshold of 1.0 kJ/m2 and on a subpicosecond time scale at higher excitation fluences. The changes in the electronic band structure result from a combination of electronic screening of the ionic potential as well as structural deformation of the lattice caused by the destabilization of the covalent bonds.

Band Gap Changes Of Single Walled Carbon Nanotubes Under Uniaxial Strain

International Nuclear Information System (INIS)

Dereli, G.

2010-01-01

The study of the band gap variation with mechanical deformation is important in manipulations of Single Walled Carbon Nanotubes (SWCNT). In this study we investigated the electronic band structure and the mechanical properties of (12,0) and (13,0) SWCNTs under the effect of uniaxial strain. Electronic and mechanical properties are studied using a parallel, order N, tight-binding molecular dynamics (O(N) TBMD) simulation code designed by G. Dereli et. al. We showed the effect of uniaxial strain on the variations of band gaps and the total energy per atom of (12,0) and (13,0) SWCNTs. We calculated Young's modulus and the Poisson ratio of these SWCNTs. The research reported here was supported through the Yildiz Technical University Research Found Project No: 24-01-01-04. Simulations are performed in parallel environment at Carbon Nanotube Simulation Laboratory of Yildiz Technical University.

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

International Nuclear Information System (INIS)

Benkraouda, M.; Amrane, N.

2013-01-01

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

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

Science.gov (United States)

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

2018-04-11

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

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

Science.gov (United States)

Liu, Xiang; Sohlberg, Karl

2016-01-01

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

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

International Nuclear Information System (INIS)

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

2006-01-01

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

From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach.

Science.gov (United States)

Baerends, E J

2017-06-21

It is often stated that the Kohn-Sham occupied-unoccupied gap in both molecules and solids is "wrong". We argue that this is not a correct statement. The KS theory does not allow to interpret the exact KS HOMO-LUMO gap as the fundamental gap (difference (I - A) of electron affinity (A) and ionization energy (I), twice the chemical hardness), from which it indeed differs, strongly in molecules and moderately in solids. The exact Kohn-Sham HOMO-LUMO gap in molecules is much below the fundamental gap and very close to the much smaller optical gap (first excitation energy), and LDA/GGA yield very similar gaps. In solids the situation is different: the excitation energy to delocalized excited states and the fundamental gap (I - A) are very similar, not so disparate as in molecules. Again the Kohn-Sham and LDA/GGA band gaps do not represent (I - A) but are significantly smaller. However, the special properties of an extended system like a solid make it very easy to calculate the fundamental gap from the ground state (neutral system) band structure calculations entirely within a density functional framework. The correction Δ from the KS gap to the fundamental gap originates from the response part v resp of the exchange-correlation potential and can be calculated very simply using an approximation to v resp . This affords a calculation of the fundamental gap at the same level of accuracy as other properties of crystals at little extra cost beyond the ground state bandstructure calculation. The method is based on integer electron systems, fractional electron systems (an ensemble of N- and (N + 1)-electron systems) and the derivative discontinuity are not invoked.

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

International Nuclear Information System (INIS)

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

2016-01-01

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

In-clustering induced anomalousbehavior of band gap in InAlN and InGaN

DEFF Research Database (Denmark)

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

2010-01-01

Electronic band structure calculations of In containing ternary nitride alloys are presented showing a strong modification of the band gap, EG and its pressure coefficient, dEG/dp, as a function of In-content. Two different arrangements of In atoms are considered: uniform and clustered. It is shown...... that Indium clustering is the additional, large factor leading to the unusual bowings of the band gaps and their pressure coefficients. The theoretical results are compared with experimental data on variations of EG with In content. In the analysis of observed phenomena we point out the particular role...... of the uppermost valence band....

Anisotropic lattice expansion of three-dimensional colloidal crystals and its impact on hypersonic phonon band gaps.

Science.gov (United States)

Wu, Songtao; Zhu, Gaohua; Zhang, Jin S; Banerjee, Debasish; Bass, Jay D; Ling, Chen; Yano, Kazuhisa

2014-05-21

We report anisotropic expansion of self-assembled colloidal polystyrene-poly(dimethylsiloxane) crystals and its impact on the phonon band structure at hypersonic frequencies. The structural expansion was achieved by a multistep infiltration-polymerization process. Such a process expands the interplanar lattice distance 17% after 8 cycles whereas the in-plane distance remains unaffected. The variation of hypersonic phonon band structure induced by the anisotropic lattice expansion was recorded by Brillouin measurements. In the sample before expansion, a phononic band gap between 3.7 and 4.4 GHz is observed; after 17% structural expansion, the gap is shifted to a lower frequency between 3.5 and 4.0 GHz. This study offers a facile approach to control the macroscopic structure of colloidal crystals with great potential in designing tunable phononic devices.

CZTS stoichiometry effects on the band gap energy

International Nuclear Information System (INIS)

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

2014-01-01

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

Wave propagation in ordered, disordered, and nonlinear photonic band gap materials

Energy Technology Data Exchange (ETDEWEB)

Lidorikis, Elefterios [Iowa State Univ., Ames, IA (United States)

1999-12-10

Photonic band gap materials are artificial dielectric structures that give the promise of molding and controlling the flow of optical light the same way semiconductors mold and control the electric current flow. In this dissertation the author studied two areas of photonic band gap materials. The first area is focused on the properties of one-dimensional PBG materials doped with Kerr-type nonlinear material, while, the second area is focused on the mechanisms responsible for the gap formation as well as other properties of two-dimensional PBG materials. He first studied, in Chapter 2, the general adequacy of an approximate structure model in which the nonlinearity is assumed to be concentrated in equally-spaced very thin layers, or 6-functions, while the rest of the space is linear. This model had been used before, but its range of validity and the physical reasons for its limitations were not quite clear yet. He performed an extensive examination of many aspects of the model's nonlinear response and comparison against more realistic models with finite-width nonlinear layers, and found that the d-function model is quite adequate, capturing the essential features in the transmission characteristics. The author found one exception, coming from the deficiency of processing a rigid bottom band edge, i.e. the upper edge of the gaps is always independent of the refraction index contrast. This causes the model to miss-predict that there are no soliton solutions for a positive Kerr-coefficient, something known to be untrue.

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.

Photonic band gap structures for long-range surface plasmon polaritons

DEFF Research Database (Denmark)

Bozhevolnyi, Sergey I.; Boltasseva, Alexandra; Søndergaard, Thomas

2005-01-01

Propagation of long-range surface plasmon polaritons (LR-SPPs) along periodically thickness-modulated metal stripes embedded in dielectric is studied both theoretically and experimentally for light wavelengths in the telecom range. We demonstrate that symmetric (with respect to the film surface) nm......-size thickness variations result in the pronounced band gap effect, and obtain very good agreement between measured and simulated (transmission and reflection) spectra. This effect is exploited to realize a compact wavelength add-drop filter with the bandwidth of ~20 nm centered at 1550 nm. The possibilities...

Band gap and band offset of (GaIn)(PSb) lattice matched to InP

Science.gov (United States)

Köhler, F.; Böhm, G.; Meyer, R.; Amann, M.-C.

2005-07-01

Metastable (GaxIn1-x)(PySb1-y) layers were grown on (001) InP substrates by gas source molecular beam epitaxy. Low-temperature photoluminescence spectroscopy was applied to these heterostructures and revealed spatially indirect band-to-band recombination of electrons localized in the InP with holes in the (GaxIn1-x)(PySb1-y). In addition, samples with layer thicknesses larger than 100nm showed direct PL across the band gap of (GaxIn1-x)(PySb1-y). Band-gap energies and band offset energies of (GaxIn1-x)(PySb1-y) relative to InP were derived from these PL data. A strong bowing parameter was observed.

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

International Nuclear Information System (INIS)

Tiwari, A.; Johri, M.

2006-05-01

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

Grain size dependent optical band gap of CdI2 films

Indian Academy of Sciences (India)

Unknown

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

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

Science.gov (United States)

Hu, Tao; Hong, Jisang

2015-10-28

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

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

International Nuclear Information System (INIS)

Zaki, M.F.

2010-01-01

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

[Left- or right-handed: the effect of a preferential use of one hand or the other on dental hygiene].

Science.gov (United States)

Eleveld, C A; Schuller, A A

2016-02-01

A research project investigated the extent to which a preferential use of one hand or the other has an effect on dental hygiene on the left or right side of the mouth. The study made use of epidemiological dental-care data from the Netherlands Organisation for Applied Scientific Research and of data from a dental practice specifically collected for this project. The results revealed that among a population which is 85-90% right-handed, statistically significantly more dental plaque was found on the right side of the mouth than on the left. A separate study revealed the prevalence of statistically significantly more dental plaque on the right side than on the left among right-handed people and, among left-handed people, a non-statistically significant trend of more dental plaque on the left than the right. It is concluded that dental hygiene on the left side and the right side of the mouth is very likely to be dependent on the preferential use of one hand or the other. The differences between the left side of the mouth and right among left- and right-handed people are, however, so small that it is questionable whether these should be taken into consideration in giving instructions about dental hygiene.

Magnetization of left-handed metamaterials

International Nuclear Information System (INIS)

Kourakis, I; Shukla, P K

2006-01-01

We propose a possible mechanism for the generation of magnetic fields in negative refraction index composite metamaterials. Considering the propagation of a high-frequency modulated amplitude electric field in a left-handed material (LHM), we show that the ponderomotive interaction between the field and low-frequency potential distributions leads to spontaneous generation of magnetic fields, whose form and properties are discussed

Investigation the effect of lattice angle on the band gap width in 3D phononic crystals with rhombohedral(I) lattice

Science.gov (United States)

Salehi, H.; Aryadoust, M.; Shoushtari, M. Zargar

2014-07-01

In this paper, the propagation of acoustic waves in the phononic crystal of 3D with rhombohedral(I) lattice is studied theoretically. The crystal composite constituted of nickel spheres embedded in epoxy. The calculations of the band structure and density of states are performed with the plane wave expansion method in the irreducible part of Brillouin zone. In the present work, we have investigated the effect of lattice angle on the band structure and width of the band gap rhombohedral(I) lattice in the irreducible part of the first Brillouin zone and its planes separately. The results show that more than one complete band gape are formed in the four planes of the irreducible part. The most complete band gaps are formed in the (111) plane and the widest complete band gap in (443) with an angle greater than 80. So, if the sound passes through the (111) and (443) planes for the lattice angle close to 90, the crystal phononic displays the excellent insulation behavior. Moreover, in the other planes, the lattice angle does not affect on the width and the number of band gaps. Also, for the filling fraction 5 %, the widest complete band gap is formed. These results are consistent with the effect of symmetry on the band gap width, because the (111) plane has the most symmetry.

Band-gap analysis of a novel lattice with a hierarchical periodicity using the spectral element method

Science.gov (United States)

Wu, Zhijing; Li, Fengming; Zhang, Chuanzeng

2018-05-01

Inspired by the hierarchical structures of butterfly wing surfaces, a new kind of lattice structures with a two-order hierarchical periodicity is proposed and designed, and the band-gap properties are investigated by the spectral element method (SEM). The equations of motion of the whole structure are established considering the macro and micro periodicities of the system. The efficiency of the SEM is exploited in the modeling process and validated by comparing the results with that of the finite element method (FEM). Based on the highly accurate results in the frequency domain, the dynamic behaviors of the proposed two-order hierarchical structures are analyzed. An original and interesting finding is the existence of the distinct macro and micro stop-bands in the given frequency domain. The mechanisms for these two types of band-gaps are also explored. Finally, the relations between the hierarchical periodicities and the different types of the stop-bands are investigated by analyzing the parametrical influences.

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...

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

DEFF Research Database (Denmark)

Hernandez Botella, Juan Carlos

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

UWB Filtering Power Divider with Two Narrow Notch-bands and Wide Stop-band

Science.gov (United States)

Wei, Feng; Wang, Xin-Yi; Zou, Xin Tong; Shi, Xiao Wei

2017-12-01

A compact filtering ultra-wideband (UWB) microstrip power divider (PD) with two sharply rejected notch-bands and wide stopband is analyzed and designed in this paper. The proposed UWB PD is based on a conventional Wilkinson power divider, while two stub loaded resonators (SLRs) are coupled into two symmetrical output ports to achieve a bandpass filtering response. The simplified composite right/left-handed (SCRLH) resonators are employed to generate the dual notched bands. Defected ground structure (DGS) is introduced to improve the passband performance. Good insertion/return losses, isolation and notch-band rejection are achieved as demonstrated in both simulation and experiment.

Grain size and lattice parameter's influence on band gap of SnS thin nano-crystalline films

Energy Technology Data Exchange (ETDEWEB)

Gupta, Yashika [Department of Electronics, S.G.T.B. Khalsa College, University of Delhi, Delhi 110007 (India); Department of Electronic Science, University of Delhi-South Campus, New Delhi 110021 (India); Arun, P., E-mail: arunp92@physics.du.ac.in [Department of Electronics, S.G.T.B. Khalsa College, University of Delhi, Delhi 110007 (India); Naudi, A.A.; Walz, M.V. [Facultad de Ingeniería, Universidad Nacional de Entre Ríos, 3101 Oro Verde (Argentina); Albanesi, E.A. [Facultad de Ingeniería, Universidad Nacional de Entre Ríos, 3101 Oro Verde (Argentina); Instituto de Física del Litoral (CONICET-UNL), Guemes 3450, 3000 Santa Fe (Argentina)

2016-08-01

Tin sulphide nano-crystalline thin films were fabricated on glass and Indium Tin Oxide (ITO) substrates by thermal evaporation method. The crystal structure orientation of the films was found to be dependent on the substrate. Residual stress existed in the films due to these orientations. This stress led to variation in lattice parameter. The nano-crystalline grain size was also found to vary with film thickness. A plot of band-gap with grain size or with lattice parameter showed the existence of a family of curves. This implied that band-gap of SnS films in the preview of the present study depends on two parameters, lattice parameter and grain size. The band-gap relation with grain size is well known in the nano regime. Experimental data fitted well with this relation for the given lattice constants. The manuscript uses theoretical structure calculations for different lattice constants and shows that the experimental data follows the trend. Thus, confirming that the band gap has a two variable dependency. - Highlights: • Tin sulphide films are grown on glass and ITO substrates. • Both substrates give differently oriented films. • The band-gap is found to depend on grain size and lattice parameter. • Using data from literature, E{sub g} is shown to be two parameter function. • Theoretical structure calculations are used to verify results.

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

Directory of Open Access Journals (Sweden)

Brian J. Munroe

2013-01-01

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

Kinematic and kinetic differences between left-and right-handed professional baseball pitchers.

Science.gov (United States)

Diffendaffer, Alek Z; Fleisig, Glenn S; Ivey, Brett; Aune, Kyle T

2018-03-21

While 10% of the general population is left-handed, 27% of professional baseball pitchers are left-handed. Biomechanical differences between left- and right-handed college pitchers have been previously reported, but these differences have yet to be examined at the professional level. Therefore, the purpose of this study was to compare pitching biomechanics between left- and right-handed professional pitchers. It was hypothesised that there would be significant kinematic and kinetic differences between these two groups. Pitching biomechanics were collected on 96 left-handed pitchers and a group of 96 right-handed pitchers matched for age, height, mass and ball velocity. Student t-tests were used to identify kinematic and kinetic differences (p different between the groups. Landing position of the stride foot, trunk separation at foot contact, maximum shoulder external rotation and trunk forward tilt at ball release were all significantly greater in right-handed pitchers. The magnitude of the statistical differences found were small and not consistent with differences in the two previous, smaller studies. Thus, the differences found may be of minimal practical significance and mechanics can be taught the same to all pitchers, regardless of throwing hand.

Head and hand detuning effect study of narrow-band against wide-band mobile phone antennas

DEFF Research Database (Denmark)

Bahramzy, Pevand; Pedersen, Gert Frølund

2014-01-01

Wide-band (WB) and narrow-band (NB) antennas in terms of performance are compared, when interacting with the user’s right head and hand (RHH). The investigations are done through experimental measurements, using standardised head phantom and hand. It is shown that WB antennas detune more than NB ...

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

Science.gov (United States)

Majidi, R.; Karami, A. R.

2014-09-01

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

Political Left and Right: Our Hands-On Logic

Directory of Open Access Journals (Sweden)

Frits Bienfait

2014-12-01

Full Text Available The origins and immediate vitality of the left/right divide which emerged in French revolutionary politics from 1789 can only be understood against the background of a much older classification dynamic based on the primacy of the right hand, first described by Robert Hertz in 1909. This dynamic infused political thinking first in Versailles and since 1815 in democracies throughout the world. In the process, the classical left/right polarity acquired a new dimension: the complementary notions of ‘accepting’ and ‘questioning’ the existing social order. An essential feature of both the age-old classical polarity and the ensuing political polarity is that they are intimately bound up with local and evolving social contexts: there is no single content-based definition of left and right. As long as the majority of us are predisposed to use our right hand when acting in the world, ‘left versus right’ will remain the most important political antithesis in western-type democracies.

The quasiparticle band structure of zincblende and rocksalt ZnO.

Science.gov (United States)

Dixit, H; Saniz, R; Lamoen, D; Partoens, B

2010-03-31

We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the p-d hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong p-d hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn(20+) pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ∼ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong p-d hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.

Reversed Cherenkov emission of terahertz waves from an ultrashort laser pulse in a sandwich structure with nonlinear core and left-handed cladding.

Science.gov (United States)

Bakunov, M I; Mikhaylovskiy, R V; Bodrov, S B; Luk'yanchuk, B S

2010-01-18

We propose a scheme for an experimental verification of the reversed Cherenkov effect in left-handed media. The scheme uses optical-to-terahertz conversion in a planar sandwichlike structure that consists of a nonlinear core cladded with a material that exhibits left-handedness at terahertz frequencies. The focused into a line femtosecond laser pulse propagates in the core and emits Cherenkov wedge of terahertz waves in the cladding. We developed a theory that describes terahertz generation in such a structure and calculated spatial distribution of the generated terahertz field, its energy spectrum, and optical-to-terahertz conversion efficiency. The proposed structure can be a useful tool for characterization of the electromagnetic properties of metamaterials in the terahertz frequency range.

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

International Nuclear Information System (INIS)

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

2015-01-01

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

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.

Nonlinear left-handed transmission line metamaterials

International Nuclear Information System (INIS)

Kozyrev, A B; Weide, D W van der

2008-01-01

Metamaterials, exhibiting simultaneously negative permittivity ε and permeability μ, more commonly referred to as left-handed metamaterials (LHMs) and also known as negative-index materials, have received substantial attention in the scientific and engineering communities [1]. Most studies of LHMs (and electromagnetic metamaterials in general) have been in the linear regime of wave propagation and have already inspired new types of microwave circuits and devices. The results of these studies have already been the subject of numerous reviews and books. This review covers a less explored but rapidly developing area of investigation involving media that combine nonlinearity (dependence of the permittivity and permeability on the magnitude of the propagating field) with the anomalous dispersion exhibited by LHM. The nonlinear phenomena in such media will be considered on the example of a model system: the nonlinear left-handed transmission line. These nonlinear phenomena include parametric generation and amplification, harmonic and subharmonic generation as well as modulational instabilities and envelope solitons. (topical review)

challenges left-handed students face in kenyan girls' secondary

African Journals Online (AJOL)

IICBA01

Previous research on left-handedness has mainly taken place in developed countries. This ... participants were five left-handed science students and their respective subject teachers from a ... Qualitative data was collected through classroom.

Optimized dipole antennas on photonic band gap crystals

International Nuclear Information System (INIS)

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

1995-01-01

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

Measuring the band structures of periodic beams using the wave superposition method

Science.gov (United States)

Junyi, L.; Ruffini, V.; Balint, D.

2016-11-01

Phononic crystals and elastic metamaterials are artificially engineered periodic structures that have several interesting properties, such as negative effective stiffness in certain frequency ranges. An interesting property of phononic crystals and elastic metamaterials is the presence of band gaps, which are bands of frequencies where elastic waves cannot propagate. The presence of band gaps gives this class of materials the potential to be used as vibration isolators. In many studies, the band structures were used to evaluate the band gaps. The presence of band gaps in a finite structure is commonly validated by measuring the frequency response as there are no direct methods of measuring the band structures. In this study, an experiment was conducted to determine the band structure of one dimension phononic crystals with two wave modes, such as a bi-material beam, using the frequency response at only 6 points to validate the wave superposition method (WSM) introduced in a previous study. A bi-material beam and an aluminium beam with varying geometry were studied. The experiment was performed by hanging the beams freely, exciting one end of the beams, and measuring the acceleration at consecutive unit cells. The measured transfer function of the beams agrees with the analytical solutions but minor discrepancies. The band structure was then determined using WSM and the band structure of one set of the waves was found to agree well with the analytical solutions. The measurements taken for the other set of waves, which are the evanescent waves in the bi-material beams, were inaccurate and noisy. The transfer functions at additional points of one of the beams were calculated from the measured band structure using WSM. The calculated transfer function agrees with the measured results except at the frequencies where the band structure was inaccurate. Lastly, a study of the potential sources of errors was also conducted using finite element modelling and the errors in

Component formulae for hadroproduction of left- and right-handed squarks

International Nuclear Information System (INIS)

Baer, H.; Tata, X.

1985-01-01

We present differential cross section formulae for left-left, right-right, and left-right squark pair production in hadronic collisions, for unequal left- and right-handed squark masses. These formulae are useful in calculations involving weak decays of squarks to winos and zinos. (orig.)

Strongly reduced band gap in NiMn2O4 due to cation exchange

International Nuclear Information System (INIS)

Huang, Jhih-Rong; Hsu, Han; Cheng, Ching

2014-01-01

NiMn 2 O 4 is extensively used as a basis material for temperature sensors due to its negative temperature coefficient of resistance (NTCR), which is commonly attributed to the hopping mechanism involving coexisting octahedral-site Mn 4+ and Mn 3+ . Using density-functional theory + Hubbard U calculations, we identify a ferrimagnetic inverse spinel phase as the collinear ground state of NiMn 2 O 4 . By a 12.5% cation exchange, a mixed phase with slightly higher energy can be constructed, accompanied by the formation of an impurity-like band in the original 1 eV band gap. This impurity-like band reduces the gap to 0.35 eV, suggesting a possible source of NTCR. - Highlights: • Density functional based calculations were used to study collinear phase of NiMn 2 O 4 . • The ground-state structure is a ferrimagnetic inverse spinel phase. • The tetrahedral and octahedral Mn cations have ferromagnetic interactions. • A 12.5% cation exchange introduces an impurity-like band in the original 1 eV gap. • The 0.35 eV gap suggests a source of negative temperature coefficient of resistance

Left, right, left, right, eyes to the front! Müller-Lyer bias in grasping is not a function of hand used, hand preferred or visual hemifield, but foveation does matter.

OpenAIRE

van der Kamp, J.; de Wit, M.M.; Masters, R.S.W.

2012-01-01

We investigated whether the control of movement of the left hand is more likely to involve the use of allocentric information than movements performed with the right hand. Previous studies (Gonzalez et al. in J Neurophys 95:3496-3501, 2006; De Grave et al. in Exp Br Res 193:421-427, 2009) have reported contradictory findings in this respect. In the present study, right-handed participants (N = 12) and left-handed participants (N = 12) made right- and left-handed grasps to foveated objects and...

Hypersonic band gap in an AlN-TiN bilayer phononic crystal slab

Czech Academy of Sciences Publication Activity Database

Hemon, S.; Akjouj, A.; Soltani, A.; Pennec, Y.; El Hassouani, Y.; Talbi, A.; Mortet, Vincent; Djafari-Rouhani, B.

2014-01-01

Roč. 104, č. 6 (2014), , "063101-1"-"063101-5" ISSN 0003-6951 Grant - others:AV ČR(CZ) Fellowship J. E. Purkyně Institutional support: RVO:68378271 Keywords : band gap * III-V semiconductors * AIN films * photonic bandgap materials * thin film deposition * band structure * surface acoustic waves * bulk materials Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.302, year: 2014

Band structure of hydrogenated Si nanosheets and nanotubes

International Nuclear Information System (INIS)

Guzman-Verri, G G; Lew Yan Voon, L C

2011-01-01

The band structures of fully hydrogenated Si nanosheets and nanotubes are elucidated by the use of an empirical tight-binding model. The hydrogenated Si sheet is a semiconductor with an indirect band gap of about 2.2 eV. The symmetries of the wavefunctions allow us to explain the origin of the gap. We predict that, for certain chiralities, hydrogenated Si nanotubes represent a new type of semiconductor, one with coexisting direct and indirect gaps of exactly the same magnitude. This behavior is different from that governed by the Hamada rule established for non-hydrogenated carbon and silicon nanotubes. A comparison to the results of an ab initio calculation is made.

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.

Band structure of superlattice with δ-like potential

International Nuclear Information System (INIS)

Gashimzade, N.F.; Gashimzade, F.M.; Hajiev, A.T.

1993-08-01

Band structure of superlattice with δ-like potential has been calculated taking into account interaction of carriers of different kinds. Superlattices of semiconductors with degenerated valence band and zero-gap semiconductors have been considered. For the latter semimetal-semiconductor transition has been obtained. (author). 8 refs, 1 fig

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...

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

Science.gov (United States)

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

2018-02-01

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

Band gaps in periodically magnetized homogeneous anisotropic media

Science.gov (United States)

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

2010-11-01

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

Structural and optical band gap of PEO/PVP polymer blend

Science.gov (United States)

Basappa, M.; Yesappa, L.; Niranjana, M.; Ashokkumar, S. P.; Vandana, M.; Vijeth, H.; Devendrappa, H.

2018-05-01

The PEO/PVP polymers blend film at different wt % of PVP is prepared by solution casting method using methanol as a solvent. The blend was characterized by FT-IR to confirm the blend and the peak observed in the region 1230-980 cm-1 corresponds to C-O-C symmetric and asymmetric stretching. The UV-visible absorption shows red shift from 190 to 220 nm in the ultra violet region is attributed to π→π* transition. The direct and indirect optical band gaps were determined and found decreases from 4.99 to 4.62 eV with increased PVP wt % to 50:50.

Confining model with composite left-handed and unconfined right-handed particles

International Nuclear Information System (INIS)

Bordi, F.; Gatto, R.; Dominici, D.; Florence Univ.

1982-01-01

We present a fermionic composite model in which left-handed quarks and leptons transform as bound states of three elementary fermions confined under a subcolor gauge group whereas their right-handed partners are unconfined singlets. All the elementary fermions, confined or unconfined, are classified into a single spinor representation. A mass-mechanism, originating from the breaking of the spinor representation, gives masses to the quarks and leptons, originally massless from the anomaly conditions. A natural mechanism arises for the neutrino mass matrix. (orig.)

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...

Analytical solution for wave propagation through a graded index interface between a right-handed and a left-handed material

OpenAIRE

Dalarsson, Mariana; Tassin, Philippe

2012-01-01

We have investigated the transmission and reflection properties of structures incorporating left-handed materials with graded index of refraction. We present an exact analytical solution to Helmholtz' equation for a graded index profile changing according to a hyperbolic tangent function along the propagation direction. We derive expressions for the field intensity along the graded index structure, and we show excellent agreement between the analytical solution and the corresponding results o...

Revisiting the coupled-mass system and analogy with a simple band gap structure

International Nuclear Information System (INIS)

Levesque, L

2006-01-01

A great deal of insight can be gained from the analysis of coupled masses connected to springs in order to understand better the origin of band gaps in physical systems. The approach is based on the application of the superposition principle for finding the general solution in simple mechanical systems involving functions, which vary periodically with time. Graphs show that sums of periodic functions oscillating at different frequencies lead to an exchange of energy from one oscillator to another in a simple mechanical system of three objects connected by identical springs. A system of a large number of masses connected to springs having the same spring constant K is then considered and compared with a system in which the spring constants alternate from K to another value G when connecting one mass to another. Using the results found from the mechanical systems, an analogy of charge oscillations excited on both uniform and corrugated surfaces is presented. The results obtained attempt to expand understanding of the origin of the band gap occurring in some systems involving periodic motions

Photonic band gap materials: design, synthesis, and applications

International Nuclear Information System (INIS)

John, S.

2000-01-01

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

Location of the valence band maximum in the band structure of anisotropic 1 T'-ReSe2

Science.gov (United States)

Eickholt, P.; Noky, J.; Schwier, E. F.; Shimada, K.; Miyamoto, K.; Okuda, T.; Datzer, C.; Drüppel, M.; Krüger, P.; Rohlfing, M.; Donath, M.

2018-04-01

Transition-metal dichalcogenides (TMDCs) are a focus of current research due to their fascinating optical and electronic properties with possible technical applications. ReSe2 is an interesting material of the TMDC family, with unique anisotropic properties originating from its distorted 1 T structure (1 T '). To develop a fundamental understanding of the optical and electric properties, we studied the underlying electronic structure with angle-resolved photoemission (ARPES) as well as band-structure calculations within the density functional theory (DFT)-local density approximation (LDA) and GdW approximations. We identified the Γ ¯M¯1 direction, which is perpendicular to the a axis, as a distinct direction in k space with the smallest bandwidth of the highest valence band. Using photon-energy-dependent ARPES, two valence band maxima are identified within experimental limits of about 50 meV: one at the high-symmetry point Z , and a second one at a non-high-symmetry point in the Brillouin zone. Thus, the position in k space of the global valence band maximum is undecided experimentally. Theoretically, an indirect band gap is predicted on a DFT-LDA level, while quasiparticle corrections lead to a direct band gap at the Z point.

One hand or the other? Effector selection biases in right and left handers.

Science.gov (United States)

Main, Julie C; Carey, David P

2014-11-01

Much debate in the handedness literature has centred on the relative merits of questionnaire-based measures assessing hand preference versus simple movement tasks such as peg moving or finger tapping, assessing hand performance. A third paradigm has grown in popularity, which assesses choices by participants when either hand could be used to execute movements. These newer measures may be useful in predicting possible "reversed" asymmetries in proportions of non-right handed ("adextral") people. In the current studies we examine hand choice in large samples of dextral (right handed) and adextral participants. Unlike in some previous experiments on choice, we found that left handers were as biased towards their dominant hand as were right handers, for grasping during a puzzle-making task (study 1). In a second study, participants had to point to either of two suddenly appearing targets with one hand or the other. In study 2, left handers were not significantly less one handed than their right-handed counterparts as in study 1. In a final study, we used random effects meta analysis to summarise the possible differences in hand choice between left handers and right handers across all hand choice studies published to date. The meta analysis suggests that right handers use their dominant hand 12.5% more than left handers favour their dominant hand (with 95% confidence that the real difference lies between 7% and 18%). These last results suggest that our two experiments reported here may represent statistical Type 2 errors. This mean difference may be related to greater left hemispheric language and praxic laterality in right handers. Nevertheless, more data are needed regarding the precise proportions of left and right handers who favour their preferred hands for different tasks. Copyright © 2014 Elsevier Ltd. All rights reserved.

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.

Electronic band structure of lithium, sodium and potassium fluorides

International Nuclear Information System (INIS)

Jouanin, C.; Albert, J.P.; Gout, C.

1975-01-01

A mixed tight-binding, pseudopotential method is proposed to calculate the energy band structure of large-gap crystals and is tested here on LiF, NaF and KF. Three-centre terms are included in the determination of the valence bands by the tight-binding method and for the conduction bands we use a pseudopotential model proposed by Bassani and Giuliano, modified for the positive ions. By taking into account the polarization corrections, transitions calculated from the energy band structures are compared with experimental data and the agreement is generally good

Research on the effects of geometrical and material uncertainties on the band gap of the undulated beam

Science.gov (United States)

Li, Yi; Xu, Yanlong

2017-09-01

Considering uncertain geometrical and material parameters, the lower and upper bounds of the band gap of an undulated beam with periodically arched shape are studied by the Monte Carlo Simulation (MCS) and interval analysis based on the Taylor series. Given the random variations of the overall uncertain variables, scatter plots from the MCS are used to analyze the qualitative sensitivities of the band gap respect to these uncertainties. We find that the influence of uncertainty of the geometrical parameter on the band gap of the undulated beam is stronger than that of the material parameter. And this conclusion is also proved by the interval analysis based on the Taylor series. Our methodology can give a strategy to reduce the errors between the design and practical values of the band gaps by improving the accuracy of the specially selected uncertain design variables of the periodical structures.

Effect of ZnO on the Physical Properties and Optical Band Gap of Soda Lime Silicate Glass

Science.gov (United States)

Zaid, Mohd Hafiz Mohd; Matori, Khamirul Amin; Aziz, Sidek Hj. Abdul; Zakaria, Azmi; Ghazali, Mohd Sabri Mohd

2012-01-01

This manuscript reports on the physical properties and optical band gap of five samples of soda lime silicate (SLS) glass combined with zinc oxide (ZnO) that were prepared by a melting and quenching process. To understand the role of ZnO in this glass structure, the density, molar volume and optical band gaps were investigated. The density and absorption spectra in the Ultra-Violet-Visible (UV-Visible) region were recorded at room temperature. The results show that the densities of the glass samples increased as the ZnO weight percentage increased. The molar volume of the glasses shows the same trend as the density: the molar volume increased as the ZnO content increased. The optical band gaps were calculated from the absorption edge, and it was found that the optical band gap decreased from 3.20 to 2.32 eV as the ZnO concentration increased. PMID:22837711

Tl4CdI6 – Wide band gap semiconductor: First principles modelling of the structural, electronic, optical and elastic properties

International Nuclear Information System (INIS)

Piasecki, M.; Brik, M.G.; Kityk, I.V.

2015-01-01

A novel infrared optoelectronic material Tl 4 CdI 6 was studied using the density functional theory (DFT)-based techniques. Its structural, electronic, optical and elastic properties were all calculated in the generalized gradient approximation (GGA) with the Perdew–Burke–Ernzerhof (PBE) and the local density approximation (LDA) with the Ceperley-Alder–Perdew-Zunger (CA–PZ) functionals. The studied material is a direct band gap semiconductor with the calculated band gaps of 2.043 eV (GGA) and 1.627 eV (LDA). The wavelength dependence of the refractive index was fitted to the Sellmeier equation in the spectral range from 400 to 2000 nm. Good agreement between the GGA-calculated values of refractive index and experimental data was achieved. To the best of our knowledge, this is the first consistent theoretical description of the title compound, which includes calculations and analysis of the structural, electronic, optical and elastic properties. - Graphical abstract: Display Omitted - Highlights: • Infrared optoelectronic material Tl 4 CdI 6 was studied using ab initio methods. • Structural, electronic, optical and elastic properties were calculated. • Independent components of the elastic constants tensor were calculated. • Good agreement with available experimental results was achieved

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-02-05

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

Sub-band-gap absorption in Ga2O3

Science.gov (United States)

Peelaers, Hartwin; Van de Walle, Chris G.

2017-10-01

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

Structural and electronic properties of GaAs and GaP semiconductors

Energy Technology Data Exchange (ETDEWEB)

Rani, Anita [Guru Nanak College for girls, Sri Muktsar Sahib, Punjab (India); Kumar, Ranjan [Department of Physics, Panjab University, Chandigarh-160014 (India)

2015-05-15

The Structural and Electronic properties of Zinc Blende phase of GaAs and GaP compounds are studied using self consistent SIESTA-code, pseudopotentials and Density Functional Theory (DFT) in Local Density Approximation (LDA). The Lattice Constant, Equillibrium Volume, Cohesive Energy per pair, Compressibility and Band Gap are calculated. The band gaps calcultated with DFT using LDA is smaller than the experimental values. The P-V data fitted to third order Birch Murnaghan equation of state provide the Bulk Modulus and its pressure derivatives. Our Structural and Electronic properties estimations are in agreement with available experimental and theoretical data.

Polymorphous band structure model of gapping in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO

Science.gov (United States)

Trimarchi, Giancarlo; Wang, Zhi; Zunger, Alex

2018-01-01

The existence of band gaps in both the antiferromagnetic (AFM) and paramagnetic (PM) phases of the classic NaCl-structure Mott insulators MnO, FeO, CoO, and NiO is traditionally viewed and taught as a manifestation of strong correlation whereby insulation results from electrons moving across the lattice forming states with doubly occupied d orbitals on certain atomic sites and empty d orbitals on other sites. Within such theories, the gap of the AFM and PM phases of these oxides emerges even in the absence of spatial symmetry breaking. The need for such a correlated picture is partially based on the known failure of the commonly used band models for the PM phase that assume for such a spin disordered state the macroscopically averaged NaCl structure, where all transition metal (TM) sites are symmetry-equivalent (a monomorphous description), producing a gapless PM state with zero magnetic moments, in sharp conflict with experiment. Here, we seek to understand the minimum theoretical description needed to capture the leading descriptors of ground state Mott insulation in the classic, 3 d monoxide Mott systems—gapping and moment formation in the AFM and PM phase. As noted by previous authors, the spin-ordered AFM phase in these materials already shows in band theory a significant band gap when one doubles the NaCl unit cell by permitting different potentials for transition-metal atoms with different spins. For the spin-disordered PM phase, we allow analogously larger NaCl-type supercells where each TM site can have different spin direction and local bonding environments (i.e., disordered), yet the total spin is zero. Such a polymorphous description has the flexibility to acquire symmetry-breaking energy-lowering patterns that can lift the degeneracy of the d orbitals and develop large on-site magnetic moments without violating the global, averaged NaCl symmetry. Electrons are exchanged between spin-up and spin-down bands to create closed-shell insulating

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}.

Band gap engineering of indium zinc oxide by nitrogen incorporation

International Nuclear Information System (INIS)

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

2014-01-01

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

Viscoelastic effect on acoustic band gaps in polymer-fluid composites

International Nuclear Information System (INIS)

Merheb, B; Deymier, P A; Muralidharan, K; Bucay, J; Jain, M; Aloshyna-Lesuffleur, M; Mohanty, S; Berker, A; Greger, R W

2009-01-01

In this paper, we present a theoretical analysis of the propagation of acoustic waves through elastic and viscoelastic two-dimensional phononic crystal structures. Numerical calculations of transmission spectra are conducted by extending the finite-difference-time-domain method to account for linear viscoelastic materials with time-dependent moduli. We study a phononic crystal constituted of a square array of cylindrical air inclusions in a solid viscoelastic matrix. The elastic properties of the solid are those of a silicone rubber. This system exhibits very wide band gaps in its transmission spectrum that extend to frequencies in the audible range of the spectrum. These gaps are characteristic of fluid matrix/air inclusion systems and result from the very large contrast between the longitudinal and transverse speeds of sound in rubber. By treating the matrix as a viscoelastic medium within the standard linear solid (SLS) model, we demonstrate that viscoelasticity impacts the transmission properties of the rubber/air phononic crystal not only by attenuating the transmitted acoustic waves but also by shifting the passing bands frequencies toward lower values. The ranges of frequencies exhibiting attenuation or frequency shift are determined by the value of the relaxation time in the SLS model. We show that viscoelasticity can be used to decrease the frequency of pass bands (and consequently stop bands) in viscoelastic/air phononic crystals

Band gaps of wurtzite Sc{sub x}Ga{sub 1−x}N alloys

Energy Technology Data Exchange (ETDEWEB)

Tsui, H. C. L.; Moram, M. A. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Goff, L. E. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Department of Physics, University of Cambridge, JJ Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Rhode, S. K. [Department of Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Pereira, S. [CICECO and Dept. Physics, Universidade de Aveiro, 3810-193 Aveiro (Portugal); Beere, H. E.; Farrer, I.; Nicoll, C. A.; Ritchie, D. A. [Department of Physics, University of Cambridge, JJ Thomson Avenue, Cambridge CB3 0HE (United Kingdom)

2015-03-30

Optical transmittance measurements on epitaxial, phase-pure, wurtzite-structure Sc{sub x}Ga{sub 1−x}N films with 0 ≤ x ≤ 0.26 showed that their direct optical band gaps increased from 3.33 eV to 3.89 eV with increasing x, in agreement with theory. These films contained I{sub 1}- and I{sub 2}-type stacking faults. However, the direct optical band gaps decreased from 3.37 eV to 3.26 eV for Sc{sub x}Ga{sub 1−x}N films, which additionally contained nanoscale lamellar inclusions of the zinc-blende phase, as revealed by aberration-corrected scanning transmission electron microscopy. Therefore, we conclude that the apparent reduction in Sc{sub x}Ga{sub 1−x}N band gaps with increasing x is an artefact resulting from the presence of nanoscale zinc-blende inclusions.

Molecular analogs of the hemihelix: A computational study of chain molecules containing left- and right-handed helices

Science.gov (United States)

Pichierri, Fabio

2014-08-01

Using density functional theory (DFT) we design two novel chain molecules containing a left-handed (thia)helicene unit connected to a right-handed (thia)helicene unit via a phosphoroussbnd phosphorous (Psbnd P) bond. These chains represent the molecular analogs of the novel hemihelix structure recently discovered by a group of Harvard University scientists. The HOMO and LUMO levels of the heterochiral chains, termed hemihelicenes, are localized on the left- and right-handed blocks, respectively. In contrast, the frontier orbitals of the chains containing homochiral (thia)helicenes connected by a Psbnd P bond are delocalized all over the chain.

Multifunctional Binary Monolayers Ge xP y: Tunable Band Gap, Ferromagnetism, and Photocatalyst for Water Splitting.

Science.gov (United States)

Li, Pengfei; Zhang, Wei; Li, Dongdong; Liang, Changhao; Zeng, Xiao Cheng

2018-06-04

The most stable structures of two-dimensional Ge x P y and Ge x As y monolayers with different stoichiometries (e.g., GeP, GeP 2 , and GeP 3 ) are explored systematically through the combination of the particle-swarm optimization technique and density functional theory optimization. For GeP 3 , we show that the newly predicted most stable C2/ m structure is 0.16 eV/atom lower in energy than the state-of-the-art P3̅m1 structure reported previously ( Nano Lett. 2017, 17, 1833). The computed electronic band structures suggest that all the stable and metastable monolayers of Ge x P y are semiconductors with highly tunable band gaps under the biaxial strain, allowing strain engineering of their band gaps within nearly the whole visible-light range. More interestingly, the hole doping can convert the C2/ m GeP 3 monolayer from nonmagnetic to ferromagnetic because of its unique valence band structure. For the GeP 2 monolayer, the predicted most stable Pmc2 1 structure is a (quasi) direct-gap semiconductor that possesses a high electron mobility of ∼800 cm 2 V -1 s -1 along the k a direction, which is much higher than that of MoS 2 (∼200 cm 2 V -1 s -1 ). More importantly, the Pmc2 1 GeP 2 monolayer not only can serve as an n-type channel material in field-effect transistors but also can be an effective catalyst for splitting water.

Band gaps in the low-frequency range based on the two-dimensional phononic crystal plates composed of rubber matrix with periodic steel stubs

International Nuclear Information System (INIS)

Yu, Kunpeng; Chen, Tianning; Wang, Xiaopeng

2013-01-01

In this paper, the numerical investigation of elastic wave propagation in two-dimensional phononic crystals composed of an array of steel stepped resonators on a thin rubber slab is presented. For the first time the rubber material is used as the matrix of the PCs. With the finite-element method, the dispersion relations of this novel PCs structure and some factors of the band structure are studied. Results show that, with the rubber material as matrix, the PC structures exhibit extremely low-frequency band gaps, in the frequency range of hundreds of Hz or even tens of Hz; the geometrical parameters and the material parameters can modulate the band gaps to different extents. Furthermore, to understand the low-frequency band gaps caused by this new structure, some resonance eigenmodes of the structure are calculated. Results show that the vibration of the unit cell of the structure can be seen as several mass–spring systems, in which the vibration of the steel stepped resonator decides the lower boundary of the first band gap and the vibration of the rubber that is not in contact with the resonator decides the upper boundary

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

Science.gov (United States)

Chen, Yanyu; Wang, Lifeng

2014-08-01

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

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

NARCIS (Netherlands)

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

2009-01-01

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

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

NARCIS (Netherlands)

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

2009-01-01

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

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

International Nuclear Information System (INIS)

Takeda, Hiroyuki; Yoshino, Katsumi

2004-01-01

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

Comparative analysis of brain EEG signals generated from the right and left hand while writing

Science.gov (United States)

Sardesai, Neha; Jamali Mahabadi, S. E.; Meng, Qinglei; Choa, Fow-Sen

2016-05-01

This paper provides a comparative analysis of right handed people and left handed people when they write with both their hands. Two left handed and one right handed subject were asked to write their respective names on a paper using both, their left and right handed, and their brain signals were measured using EEG. Similarly, they were asked to perform simple mathematical calculations using both their hand. The data collected from the EEG from writing with both hands is compared. It is observed that though it is expected that the right brain only would contribute to left handed writing and vice versa, it is not so. When a right handed person writes with his/her left hand, the initial instinct is to go for writing with the right hand. Hence, both parts of the brain are active when a subject writes with the other hand. However, when the activity is repeated, the brain learns to expect to write with the other hand as the activity is repeated and then only the expected part of the brain is active.

Band gap opening in silicene on MgBr2(0001) induced by Li and Na

KAUST Repository

Zhu, Jiajie; Schwingenschlö gl, Udo

2014-01-01

Silicene consists of a monolayer of Si atoms in a buckled honeycomb structure and is expected to be well compatible with the current Si-based technology. However, the band gap is strongly influenced by the substrate. In this context, the structural

Comparison and fit of the two and six band k.p models for the band edge structure of Pbsub(1-x)Snsub(x)Te

International Nuclear Information System (INIS)

Weissman, Y.

1975-10-01

The band edge structure of Pbsub(1-x)Snsub(x)Te is derived in detail using a two band ellipsoidal model and compared with a more rigorous calculation based on six bands. A quantitative comparison is made for two values of the energy gap, corresponding to the cases where x=0 and x=0.17. It was found that, for the occupied states in nondegenerate materials, both models are practically equivalent. Discrepancies may occur only in high degeneracies or deep inversion layers. The agreement between both models was significantly improved by introducing an effective energy gap in the two band model. It is suggested that the use of the effective energy gap may improve the agreement between the two band model and experiment whenever the details of the band edge structure enter the interpretation of the experimental results. (author)

Calculation of the band gap energy of ionic crystals

International Nuclear Information System (INIS)

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

1998-01-01

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

Stability of the split-band solution and energy gap in the narrow-band region of the Hubbard model

International Nuclear Information System (INIS)

Arai, T.; Cohen, M.H.

1980-01-01

By inserting quasielectron energies ω calculated from the fully renormalized Green's function of the Hubbard model obtained in the preceding paper into the exact expression of Galitskii and Migdal, the ground-state energy, the chemical potential, and the dynamic- and thermodynamic-stability conditions are calculated in the narrow-band region. The results show that as long as the interaction energy I is finite, electrons in the narrow-band region do not obey the Landau theory of Fermi liquids, and a gap appears between the lowest quasielectron energy ω and the chemical potential μ for any occupation n, regardless of whether the lower band is exactly filled or not. This unusual behavior is possible because, when an electron is added to the system of N electrons, the whole system relaxes due to the strong interaction, introducing a relaxation energy difference between the two quantities. We also show that all previous solutions which exhibit the split-band structure, including Hubbard's work, yield the same conclusion that electrons do not behave like Landau quasiparticles. However, the energy gap is calculated to be negative at least for some occupations n, demonstrating the dynamic instability of those solutions. They also exhibit thermodynamic instability for certain occupations, while the fully renormalized solution, having sufficient electron correlations built in, satisfies the dynamic and thermodynamic stability conditions for all occupations. When the lower band is nearly filled, the nature of the solution is shown to change, making the coherent motion of electrons with fixed k values more difficult. In the pathological limit where I=infinity, however, the gap vanishes, yielding a metallic state

Is there any relationship between right and left hand dominance and right and left nasal airflow dominance?

Science.gov (United States)

Price, A; Eccles, R

2017-10-01

Left- or right-handedness is a common human trait, and it has been previously reported that human nasal airflow dominance correlates with hand dominance. Any relationship between hand dominance and nasal airflow dominance would be unusual. This study aimed to measure nasal airflow and look for any relationship to handedness. The modified Glatzel mirror was used to record the dominant nasal passage at 15-minute intervals over a 6-hour period in 29 healthy participants consisting of 15 left-handers and 14 right-handers. In left-handers, the percentage of time that the left nasal passage was dominant ranged from 0 to 100 per cent. In right-handers, the percentage of time that the right nasal passage was dominant ranged from 4.2 to 95.8 per cent. No correlation between nasal airflow dominance and hand dominance was identified. The results do not support the hypothesis that nasal airflow and handedness are related.

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

International Nuclear Information System (INIS)

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

2014-01-01

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

Left, right, left, right, eyes to the front! Müller-Lyer bias in grasping is not a function of hand used, hand preferred or visual hemifield, but foveation does matter.

Science.gov (United States)

van der Kamp, John; de Wit, Matthieu M; Masters, Rich S W

2012-04-01

We investigated whether the control of movement of the left hand is more likely to involve the use of allocentric information than movements performed with the right hand. Previous studies (Gonzalez et al. in J Neurophys 95:3496-3501, 2006; De Grave et al. in Exp Br Res 193:421-427, 2009) have reported contradictory findings in this respect. In the present study, right-handed participants (N = 12) and left-handed participants (N = 12) made right- and left-handed grasps to foveated objects and peripheral, non-foveated objects that were located in the right or left visual hemifield and embedded within a Müller-Lyer illusion. They were also asked to judge the size of the object by matching their hand aperture to its length. Hand apertures did not show significant differences in illusory bias as a function of hand used, handedness or visual hemifield. However, the illusory effect was significantly larger for perception than for action, and for the non-foveated compared to foveated objects. No significant illusory biases were found for reach movement times. These findings are consistent with the two-visual system model that holds that the use of allocentric information is more prominent in perception than in movement control. We propose that the increased involvement of allocentric information in movements toward peripheral, non-foveated objects may be a consequence of more awkward, less automatized grasps of nonfoveated than foveated objects. The current study does not support the conjecture that the control of left-handed and right-handed grasps is predicated on different sources of information.

Band structure of comb-like photonic crystals containing meta-materials

Science.gov (United States)

Weng, Yi; Wang, Zhi-Guo; Chen, Hong

2007-09-01

We study the transmission properties and band structure of comb-like photonic crystals (PC) with backbones constructed of meta-materials (negative-index materials) within the frame of the interface response theory. The result shows the existence of a special band gap at low frequency. This gap differs from the Bragg gaps in that it is insensitive to the geometrical scaling and disorder. In comparison with the zero-average-index gap in one-dimensional PC made of alternating positive- and negative-index materials, the gap is obviously deeper and broader, given the same system parameters. In addition, the behavior of its gap-edges is also different. One gap-edge is decided by the average permittivity whereas the other is only subject to the changing of the permeability of the backbone. Due to this asymmetry of the two gap-edges, the broadening of the gap could be realized with much freedom and facility.

Expansion of lower-frequency locally resonant band gaps using a double-sided stubbed composite phononic crystals plate with composite stubs

Energy Technology Data Exchange (ETDEWEB)

Li, Suobin; Chen, Tianning [School of Mechanical Engineering and State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China); Wang, Xiaopeng, E-mail: xpwang@mail.xjtu.edu.cn [School of Mechanical Engineering and State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China); Li, Yinggang [Key Laboratory of High Performance Ship Technology of Ministry of Education, Wuhan University of Technology, Wuhan, 430070 (China); Chen, Weihua [School of Mechanical Engineering and State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China)

2016-06-03

We studied the expansion of locally resonant complete band gaps in two-dimensional phononic crystals (PCs) using a double-sided stubbed composite PC plate with composite stubs. Results show that the introduction of the proposed structure gives rise to a significant expansion of the relative bandwidth by a factor of 1.5 and decreases the opening location of the first complete band gap by a factor of 3 compared to the classic double-sided stubbed PC plate with composite stubs. Furthermore, more band gaps appear in the lower-frequency range (0.006). These phenomena can be attributed to the strong coupling between the “analogous rigid mode” of the stub and the anti-symmetric Lamb modes of the plate. The “analogous rigid mode” of the stub is produced by strengthening the localized resonance effect of the composite plates through the double-sided stubs, and is further strengthened through the introduction of composite stubs. The “analogous rigid mode” of the stubs expands the out-of-plane band gap, which overlaps with in-plane band gap in the lower-frequency range. As a result, the complete band gap is expanded and more complete band gaps appear. - Highlights: • Expansion of lower-frequency locally resonant BGs using novel composite phononic crystals plates. • The proposed structure expands the relative bandwidth 1.5 times compared to classic doubled-sided stubbed PC plates. • The opening location of the first complete BG decreases 3 times compared to the classic doubled-sided stubbed PC plates. • The concept “analogous rigid mode” is put forward to explain the expansion of lower-frequency BGs.

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

International Nuclear Information System (INIS)

Xu, Zhimou; Suzuki, Masato; Yokoyama, Shin

2005-01-01

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

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 .

Anisotropic energy-gaps of iron-based superconductivity from intra-band quasiparticle interference in LiFeAs

Energy Technology Data Exchange (ETDEWEB)

Rost, A.W. [LASSP, Department of Physics, Cornell, Ithaca, NY 14853 (United States); SUPA, School of Physics and Astronomy, Univ. of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); Allan, M.P. [LASSP, Department of Physics, Cornell, Ithaca, NY 14853 (United States); SUPA, School of Physics and Astronomy, Univ. of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); CMPMS Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Mackenzie, A.P. [SUPA, School of Physics and Astronomy, Univ. of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); Xie, Y. [CMPMS Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Davis, J.C. [LASSP, Department of Physics, Cornell, Ithaca, NY 14853 (United States); SUPA, School of Physics and Astronomy, Univ. of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); CMPMS Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Kavli Institute at Cornell for Nanoscale Science, Cornell, Ithaca, NY 14853 (United States); Kihou, K.; Lee, C.H.; Iyo, A.; Eisaki, H. [AIST, Tsukuba, Ibaraki 305-8568 (Japan); Chuang, T.M. [LASSP, Department of Physics, Cornell, Ithaca, NY 14853 (United States); CMPMS Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Inst. of Physics, Academica Sinica, Nankang, Taipei 11529, Taiwan (China)

2012-07-01

Cooper pairing in the Fe-based superconductors is thought to occur due to the projection of the antiferromagnetic interactions between iron atoms onto the complex momentum-space electronic structure. A key consequence is that distinct anisotropic energy gaps {Delta}{sub i}(k) with specific relative orientations should occur on the different electronic bands i. To determine this previously unresolved gap structure high-precision spectroscopy is required. Here we introduce the STM technique of intra-band Bogolyubov quasiparticle scattering interference (QPI) to iron-based superconductor studies, focusing on LiFeAs. We identify the QPI signatures of three hole-like dispersions and, by introducing a new QPI technique, determine the magnitude and relative orientations of corresponding anisotropic {Delta}{sub i}(k). Intra-band Bogolyubov QPI therefore yields the spectroscopic information required to identify the mechanism of superconductivity in Fe-based superconductors.

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.

Low frequency torsional vibration gaps in the shaft with locally resonant structures

International Nuclear Information System (INIS)

Yu Dianlong; Liu Yaozong; Wang Gang; Cai Li; Qiu Jing

2006-01-01

The propagation of torsional wave in the shaft with periodically attached local resonators is studied with the transfer matrix theory and the finite element method. The analytical dispersion relation and the complex band structure of such a structure is presented for the first time, which indicates the existence of low frequency gaps. The effect of shaft material on the vibration attenuation in band gap is investigated. The frequency response function of the shaft with finite periodic locally resonant oscillators is simulated with finite element method, which shows large vibration attenuation in the frequency range of the gap as expected. The low frequency torsional gap in shafts provides a new idea for vibration control

Analytical solution for wave propagation through a graded index interface between a right-handed and a left-handed material.

Science.gov (United States)

Dalarsson, Mariana; Tassin, Philippe

2009-04-13

We have investigated the transmission and reflection properties of structures incorporating left-handed materials with graded index of refraction. We present an exact analytical solution to Helmholtz' equation for a graded index profile changing according to a hyperbolic tangent function along the propagation direction. We derive expressions for the field intensity along the graded index structure, and we show excellent agreement between the analytical solution and the corresponding results obtained by accurate numerical simulations. Our model straightforwardly allows for arbitrary spectral dispersion.

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

International Nuclear Information System (INIS)

Chen Xiaoan; Liu Gaofeng; Tang Changjian

2010-01-01

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

Band-Structure of Thallium by the LMTO Method

DEFF Research Database (Denmark)

Holtham, P. M.; Jan, J. P.; Skriver, Hans Lomholt

1977-01-01

by an energy gap. The 6d and 7s bands were found to be far above the Fermi level and the 5d states were found to be far below it. Fermi surface properties and the electronic specific heat are computed and compared with experiment. The joint density of states has also been computed and is in reasonable...... and p bands for the HCP structure. Energy bands have been evaluated both with and without spin-orbit coupling which is particularly large in thallium. Energy bands close to the Fermi level were found to be mainly 6p like in character. The 6s states lay below the 6p bands and were separated from them......The relativistic band structure of thallium has been calculated using the linear muffin-tin orbital (LMTO) method. The positions and extents of the bands were found to follow the Wigner-Seitz rule approximately, and the origin of the dispersion of the bands was established from the canonical s...

Determination of shift in energy of band edges and band gap of ZnSe spherical quantum dot

Science.gov (United States)

Siboh, Dutem; Kalita, Pradip Kumar; Sarma, Jayanta Kumar; Nath, Nayan Mani

2018-04-01

We have determined the quantum confinement induced shifts in energy of band edges and band gap with respect to size of ZnSe spherical quantum dot employing an effective confinement potential model developed in our earlier communication "arXiv:1705.10343". We have also performed phenomenological analysis of our theoretical results in comparison with available experimental data and observe a very good agreement in this regard. Phenomenological success achieved in this regard confirms validity of the confining potential model as well as signifies the capability and applicability of the ansatz for the effective confining potential to have reasonable information in the study of real nano-structured spherical systems.

The effect of hand position on perceived finger orientation in left- and right-handers.

Science.gov (United States)

Fraser, Lindsey E; Harris, Laurence R

2017-12-01

In the absence of visual feedback, the perceived orientation of the fingers is systematically biased. In right-handers these biases are asymmetrical between the left and right hands in the horizontal plane and may reflect common functional postures for the two hands. Here we compared finger orientation perception in right- and left-handed participants for both hands, across various hand positions in the horizontal plane. Participants rotated a white line on a screen optically superimposed over their hand to indicate the perceived position of the finger that was rotated to one of seven orientations with the hand either aligned with the body midline, aligned with the shoulder, or displaced by twice the shoulder-to-midline distance from the midline. We replicated the asymmetric pattern of biases previously reported in right-handed participants (left hand biased towards an orientation ~30° inward, right hand ~10° inward). However, no such asymmetry was found for left-handers, suggesting left-handers may use different strategies when mapping proprioception to body or space coordinates and/or have less specialization of function between the hands. Both groups' responses rotated further outward as distance of the hand from the body midline increased, consistent with other research showing spatial orientation estimates diverge outward in the periphery. Finally, for right-handers, precision of responses was best when the hand was aligned with the shoulder compared to the other two conditions. These results highlight the unique role of hand dominance and hand position in perception of finger orientation, and provide insight into the proprioceptive position sense of the upper limbs.

Brain Activation Associated with Practiced Left Hand Mirror Writing

Science.gov (United States)

Kushnir, T.; Arzouan, Y.; Karni, A.; Manor, D.

2013-01-01

Mirror writing occurs in healthy children, in various pathologies and occasionally in healthy adults. There are only scant experimental data on the underlying brain processes. Eight, right-handed, healthy young adults were scanned (BOLD-fMRI) before and after practicing left-hand mirror-writing (lh-MW) over seven sessions. They wrote dictated…

Direct band gap electroluminescence from bulk germanium at room temperature using an asymmetric fin type metal/germanium/metal structure

Energy Technology Data Exchange (ETDEWEB)

Wang, Dong, E-mail: wang.dong.539@m.kyushu-u.ac.jp; Maekura, Takayuki; Kamezawa, Sho [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Yamamoto, Keisuke; Nakashima, Hiroshi [Art, Science and Technology Center for Cooperative Research, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan)

2015-02-16

We demonstrated direct band gap (DBG) electroluminescence (EL) at room temperature from n-type bulk germanium (Ge) using a fin type asymmetric lateral metal/Ge/metal structure with TiN/Ge and HfGe/Ge contacts, which was fabricated using a low temperature (<400 °C) process. Small electron and hole barrier heights were obtained for TiN/Ge and HfGe/Ge contacts, respectively. DBG EL spectrum peaked at 1.55 μm was clearly observed even at a small current density of 2.2 μA/μm. Superlinear increase in EL intensity was also observed with increasing current density, due to superlinear increase in population of elections in direct conduction band. The efficiency of hole injection was also clarified.

A GaAs planar Schottky varactor diode for left-handed nonlinear transmission line applications

International Nuclear Information System (INIS)

Dong Jun-Rong; Yang Hao; Tian Chao; Huang Jie; Zhang Hai-Ying

2012-01-01

The left-handed nonlinear transmission line (LH-NLTL) based on monolithic microwave integrated circuit (MMIC) technology possesses significant advantages such as wide frequency band, high operating frequency, high conversion efficiency, and applications in millimeter and submillimeter wave frequency multiplier. The planar Schottky varactor diode (PSVD) is a major limitation to the performance of the LH-NLTL frequency multiplier as a nonlinear component. The design and the fabrication of the diode for such an application are presented. An accurate large-signal model of the diode is proposed. A 16 GHz-39.6 GHz LH-NLTL frequency doubler using our large-signal model is reported for the first time. The measured maximum output powers of the 2nd harmonic are up to 8 dBm at 26.4 GHz, and above 0 dBm from 16 GHz to 39.6 GHz when the input power is 20 dBm. The application of the LH-NLTL frequency doubler furthermore validates the accuracy of the large-signal model of the PSVD. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Band structure analysis in SiGe nanowires

Energy Technology Data Exchange (ETDEWEB)

Amato, Michele [' Centro S3' , CNR-Istituto Nanoscienze, via Campi 213/A, 41100 Modena (Italy); Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy); Palummo, Maurizia [European Theoretical Spectroscopy Facility (ETSF) (Italy); CNR-INFM-SMC, Dipartimento di Fisica, Universita di Roma, ' Tor Vergata' , via della Ricerca Scientifica 1, 00133 Roma (Italy); Ossicini, Stefano, E-mail: stefano.ossicini@unimore.it [' Centro S3' , CNR-Istituto Nanoscienze, via Campi 213/A, 41100 Modena (Italy) and Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy) and European Theoretical Spectroscopy Facility - ETSF (Italy) and Centro Interdipartimentale ' En and Tech' , Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy)

2012-06-05

One of the main challenges for Silicon-Germanium nanowires (SiGe NWs) electronics is the possibility to modulate and engine their electronic properties in an easy way, in order to obtain a material with the desired electronic features. Diameter and composition constitute two crucial ways for the modification of the band gap and of the band structure of SiGe NWs. Within the framework of density functional theory we present results of ab initio calculations regarding the band structure dependence of SiGe NWs on diameter and composition. We point out the main differences with respect to the case of pure Si and Ge wires and we discuss the particular features of SiGe NWs that are useful for future technological applications.

Band structure analysis in SiGe nanowires

International Nuclear Information System (INIS)

Amato, Michele; Palummo, Maurizia; Ossicini, Stefano

2012-01-01

One of the main challenges for Silicon-Germanium nanowires (SiGe NWs) electronics is the possibility to modulate and engine their electronic properties in an easy way, in order to obtain a material with the desired electronic features. Diameter and composition constitute two crucial ways for the modification of the band gap and of the band structure of SiGe NWs. Within the framework of density functional theory we present results of ab initio calculations regarding the band structure dependence of SiGe NWs on diameter and composition. We point out the main differences with respect to the case of pure Si and Ge wires and we discuss the particular features of SiGe NWs that are useful for future technological applications.

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.

Relativistic band gaps in one-dimensional disordered systems

International Nuclear Information System (INIS)

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

1992-01-01

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

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

Science.gov (United States)

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

2018-05-10

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

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

International Nuclear Information System (INIS)

Carlsson, A.E.

1993-01-01

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

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

International Nuclear Information System (INIS)

Qi, Jingshan; Li, Xiao; Qian, Xiaofeng

2016-01-01

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

Hand hygiene compliance: is there a theory-practice-ethics gap?

Science.gov (United States)

Mortell, Manfred

Practice is usually based on tradition, rituals and outdated information; there is often an additional gap between theoretical knowledge and its application in practice. This theory-practice gap has long existed (Allmark, 1995; Hewison et al, 1996). It often arises when theory is ignored because it is seen as idealistic and impractical, even if it is practical and beneficial. Most research relating to the lack of integration between theory and practice has concluded that environmental factors are responsible and will affect learning and practice outcomes. The author believes an additional dimension of ethics is required to bridge the gap between theory and practice. This would be a moral obligation to ensure theory and practice are integrated. To implement new practices effectively, healthcare practitioners must deem these practices worthwhile and relevant to their role. This introduces a new concept that the author calls the theory-practice-ethics gap. This theory-practice-ethics gap must be considered when examining some of the unacceptable outcomes in healthcare practice (Mortell, 2009). The literature suggests that there is a crisis of ethics where theory and practice integrate, and practitioners are failing to fulfil their duty as providers of healthcare and as patient advocates. This article examines the theory-practice-ethics gap when applied to hand hygiene. Non-compliance exists in hand hygiene among practitioners, which may increase patient mortality and morbidity rates, and raise healthcare costs. Infection prevention and control programmes to improve hand hygiene among staff include: ongoing education and training; easy access to facilities such as wash basins; antiseptic/alcohol handgels that are convenient, effective, and skin- and user-friendly; and organisational recognition and support for clinicians in hand washing and handgel practices. Yet these all appear to have failed to achieve the required and desired compliance in hand hygiene.

Doping and band gap control at poly(vinylidene fluoride)/graphene interface

Science.gov (United States)

Cai, Jia; Wang, Jian-Lu; Gao, Heng; Tian, Bobo; Gong, Shi-Jing; Duan, Chun-Gang; Chu, Jun-Hao

2018-05-01

Using the density-functional first-principles calculations, we investigate the electronic structures of poly(vinylidene fluoride) PVDF/graphene composite systems. The n- and p-doping of graphene can be flexibly switched by reversing the ferroelectric polarization of PVDF, without scarifying the intrinsic π-electron band dispersions of graphene that are usually undermined by chemical doping. The doping degree is also dependent on the thickness of PVDF layers, which will get saturated when PVDF is thick enough. In PVDF/bilayer graphene (BLG) heterostructure, the doping degree directly determines the local energy gap of the charged BLG. The sandwich structure of PVDF/BLG/PVDF can further enhance the local energy gap as well as keep the electric neutrality of BLG, which will be of great application potentials in graphene-based nanoelectronics.

Solitons and decoherence in left-handed metamaterials

International Nuclear Information System (INIS)

Marklund, Mattias; Shukla, Padma K.; Stenflo, Lennart; Brodin, Gert

2005-01-01

We present exact electromagnetic solitary pulses that can be experimentally obtained within nonlinear left-handed metamaterials. The effect of pulse decoherence on the modulation instability of partially incoherent electromagnetic waves is also investigated. The results may contribute to a better understanding of nonlinear electromagnetic pulse propagation in media with negative index of refraction

Political Left and Right: Our Hands-On Logic

OpenAIRE

Frits Bienfait; Walter E. A. van Beek

2014-01-01

The origins and immediate vitality of the left/right divide which emerged in French revolutionary politics from 1789 can only be understood against the background of a much older classification dynamic based on the primacy of the right hand, first described by Robert Hertz in 1909. This dynamic infused political thinking first in Versailles and since 1815 in democracies throughout the world. In the process, the classical left/right polarity acquired a new dimension: the complementary notions ...

Effect of shape of scatterers and plasma frequency on the complete photonic band gap properties of two-dimensional dielectric-plasma photonic crystals

Energy Technology Data Exchange (ETDEWEB)

Fathollahi Khalkhali, T., E-mail: tfathollahi@aeoi.org.ir; Bananej, A.

2016-12-16

In this study, we analyze complete photonic band gap properties of two-dimensional dielectric-plasma photonic crystals with triangular and square lattices, composed of plasma rods with different geometrical shapes in the anisotropic tellurium background. Using the finite-difference time-domain method we discuss the maximization of the complete photonic band gap width as a function of plasma frequency and plasma rods parameters with different shapes and orientations. The numerical results demonstrate that our proposed structures represent significantly wide complete photonic band gaps in comparison to previously studied dielectric-plasma photonic crystals. - Highlights: • In this paper, we have investigated plasma photonic crystals. • Plasma is a kind of dispersive medium with its equivalent refractive index related to the frequency of an incident EM wave. • In this work, our simulations are performed using the Meep implementation of the finite-difference time-domain (FDTD) method. • For this study, the lattice structures investigated are triangular and square. • Extensive calculations reveal that almost all of these structures represent wide complete band gaps.

Effect of shape of scatterers and plasma frequency on the complete photonic band gap properties of two-dimensional dielectric-plasma photonic crystals

International Nuclear Information System (INIS)

Fathollahi Khalkhali, T.; Bananej, A.

2016-01-01

In this study, we analyze complete photonic band gap properties of two-dimensional dielectric-plasma photonic crystals with triangular and square lattices, composed of plasma rods with different geometrical shapes in the anisotropic tellurium background. Using the finite-difference time-domain method we discuss the maximization of the complete photonic band gap width as a function of plasma frequency and plasma rods parameters with different shapes and orientations. The numerical results demonstrate that our proposed structures represent significantly wide complete photonic band gaps in comparison to previously studied dielectric-plasma photonic crystals. - Highlights: • In this paper, we have investigated plasma photonic crystals. • Plasma is a kind of dispersive medium with its equivalent refractive index related to the frequency of an incident EM wave. • In this work, our simulations are performed using the Meep implementation of the finite-difference time-domain (FDTD) method. • For this study, the lattice structures investigated are triangular and square. • Extensive calculations reveal that almost all of these structures represent wide complete band gaps.

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.

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

Science.gov (United States)

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

2017-12-01

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

Optical Characterization of Rare Earth-doped Wide Band Gap Semiconductors

National Research Council Canada - National Science Library

Hommerich, Uwe

1999-01-01

...+) PL intensity under below gap excitation. Photoluminescence excitation (PLE) studies revealed that oxygen/carbon introduces a broad below gap PLE band, which provides an efficient pathway for E(3+) excitation...

Structural modification and band gap engineering of sol–gel dip ...

Indian Academy of Sciences (India)

2016-11-03

Nov 3, 2016 ... In the present study, we investigated the effect of vacuum annealing on the structural and optical properties of ... Zinc oxide has a direct optical energy gap of 3.37 eV at room ... any composition analysis to determine the exact.

Photoreflectance and contactless electroreflectance spectroscopy of GaAs-based structures: The below band gap oscillation features

International Nuclear Information System (INIS)

Kudrawiec, R.; Motyka, M.; Gladysiewicz, M.; Sitarek, P.; Misiewicz, J.

2006-01-01

GaAs-based structures characterized below band gap oscillation features (OFs) in photoreflectance (PR) are studied in both PR and contactless electro-reflectance (CER) spectroscopies. It has been shown that the OFs are usually very strong for structures grown on n-type GaAs substrate. The origin of the OFs is the modulation of the refractive index in the sample due to a generation of additional carriers by the modulated pump beam. The presence of OFs in PR spectra complicates the analysis of PR signal related to quantum well transitions. Therefore, PR spectroscopy is often limited to samples grown on semi-insolating (SI) type substrates. However, sometimes the OFs could be observed for structures grown on SI-type GaAs substrates. In this paper we show that the OFs could be successfully eliminated by applying the CER technique instead of PR one because during CER measurements any additional carriers are not generated and hence CER spectra are free of OFs. This advantage of CER spectroscopy is very important in investigations of all structures for which OFs are present in PR spectra

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....

Ferroelectric inverse opals with electrically tunable photonic band gap

International Nuclear Information System (INIS)

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

2003-01-01

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

Electroencephalographic (eeg coherence between visual and motor areas of the left and the right brain hemisphere while performing visuomotor task with the right and the left hand

Directory of Open Access Journals (Sweden)

Simon Brežan

2007-09-01

Full Text Available Background: Unilateral limb movements are based on the activation of contralateral primary motor cortex and the bilateral activation of premotor cortices. Performance of a visuomotor task requires a visuomotor integration between motor and visual cortical areas. The functional integration (»binding« of different brain areas, is probably mediated by the synchronous neuronal oscillatory activity, which can be determined by electroencephalographic (EEG coherence analysis. We introduced a new method of coherence analysis and compared coherence and power spectra in the left and right hemisphere for the right vs. left hand visuomotor task, hypothesizing that the increase in coherence and decrease in power spectra while performing the task would be greater in the contralateral hemisphere.Methods: We analyzed 6 healthy subjects and recorded their electroencephalogram during visuomotor task with the right or the left hand. For data analysis, a special Matlab computer programme was designed. The results were statistically analysed by a two-way analysis of variance, one-way analysis of variance and post-hoc t-tests with Bonferroni correction.Results: We demonstrated a significant increase in coherence (p < 0.05 for the visuomotor task compared to control tasks in alpha (8–13 Hz in beta 1 (13–20 Hz frequency bands between visual and motor electrodes. There were no significant differences in coherence nor power spectra depending on the hand used. The changes of coherence and power spectra between both hemispheres were symmetrical.Conclusions: In previous studies, a specific increase of coherence and decrease of power spectra for the visuomotor task was found, but we found no conclusive asymmetries when performing the task with right vs. left hand. This could be explained in a way that increases in coherence and decreases of power spectra reflect symmetrical activation and cooperation between more complex visual and motor brain areas.

Progress Towards Left-Handed Electromagnetic Waves in Rare-Earth Doped Crystals

Science.gov (United States)

Brewer, Nicholas Riley

In 1968 Victor Veselago determined that a material with both a negative permittivity and negative permeability would have some extraordinary properties. The index of refraction of this material would be negative and light propagating inside would be 'left-handed'. This research went relatively unnoticed until the year 2000 when John Pendry discovered that a lens with an index of refraction of n = -1 could, in principle, have infinite resolution. Since 2000, research into negative index materials has exploded. The challenging part of this research is to get a material to respond to magnetic fields at optical frequencies. Artificially created metamaterials are able to achieve this and have been the focus of most negative index research. The long term goal of our project is to produce left-handed light in an atomic system. In order to do this, an atomic transition needs to be utilized that is magnetic dipole in character. Pure magnetic dipole transitions in the optical regime are more rare and fundamentally much weaker than the electric dipole transitions typically used in atomic physics experiments. They can be found, however, in the complex atomic structure of rare-earth elements. The 7F0 → 5D 1 transition in europium doped yttrium orthosilicate (Eu3+:Y 2SiO5) has a wavelength of 527.5 nm and is a pure magnetic dipole transition. We measured its dipole moment to be (0.063 +/- 0.005)mu B via Rabi oscillations, inferring a magnetization on the order of 10 -2 A/m. Demonstrating this large magnetic response at an optical frequency is a major first step in realizing left-handed light in atomic systems.

Near-edge band structures and band gaps of Cu-based semiconductors predicted by the modified Becke-Johnson potential plus an on-site Coulomb U

International Nuclear Information System (INIS)

Zhang, Yubo; Zhang, Jiawei; Wang, Youwei; Gao, Weiwei; Abtew, Tesfaye A.; Zhang, Peihong; Zhang, Wenqing

2013-01-01

Diamond-like Cu-based multinary semiconductors are a rich family of materials that hold promise in a wide range of applications. Unfortunately, accurate theoretical understanding of the electronic properties of these materials is hindered by the involvement of Cu d electrons. Density functional theory (DFT) based calculations using the local density approximation or generalized gradient approximation often give qualitative wrong electronic properties of these materials, especially for narrow-gap systems. The modified Becke-Johnson (mBJ) method has been shown to be a promising alternative to more elaborate theory such as the GW approximation for fast materials screening and predictions. However, straightforward applications of the mBJ method to these materials still encounter significant difficulties because of the insufficient treatment of the localized d electrons. We show that combining the promise of mBJ potential and the spirit of the well-established DFT + U method leads to a much improved description of the electronic structures, including the most challenging narrow-gap systems. A survey of the band gaps of about 20 Cu-based semiconductors calculated using the mBJ + U method shows that the results agree with reliable values to within ±0.2 eV

Tight binding electronic band structure calculation of achiral boron nitride single wall nanotubes

International Nuclear Information System (INIS)

Saxena, Prapti; Sanyal, Sankar P

2006-01-01

In this paper we report the Tight-Binding method, for the electronic structure calculations of achiral single wall Boron Nitride nanotubes. We have used the contribution of π electron only to define the electronic band structure for the solid. The Zone-folding method is used for the Brillouin Zone definition. Calculation of tight binding model parameters is done by fitting them to available experimental results of two-dimensional hexagonal monolayers of Boron Nitride. It has been found that all the boron nitride nanotubes (both zigzag and armchair) are constant gap semiconductors with a band gap of 5.27eV. All zigzag BNNTs are found to be direct gap semiconductors while all armchair nanotubes are indirect gap semiconductors. (author)

Optical band gaps of organic semiconductor materials

Science.gov (United States)

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

2016-08-01

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

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

Band structures in Sierpinski triangle fractal porous phononic crystals

International Nuclear Information System (INIS)

Wang, Kai; Liu, Ying; Liang, Tianshu

2016-01-01

In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

Band structures in Sierpinski triangle fractal porous phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Wang, Kai; Liu, Ying, E-mail: yliu5@bjtu.edu.cn; Liang, Tianshu

2016-10-01

In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

Spectroscopic studies on novel donor-acceptor and low band-gap polymeric semiconductors

International Nuclear Information System (INIS)

Cravino, A.

2002-11-01

Novel low band-gap conjugated polymeric semiconductors as well as conjugated electron donor chains carrying electron acceptor substituents were electrochemically prepared and investigated by means of different spectroscopic techniques. Using in situ FTIR and ESR spectroelectrochemistry, the spectroscopic features of injected positive charges are found to be different as opposed to the negative charge carriers on the same conjugated polymer. These results, for which the theoretical models so far developed do not account, demonstrate the different structure and delocalization of charge carriers with opposite signs. In addition, vibrational spectroscopy results proof the enhanced 'quinoid' character of low band-gap conjugated chains. Excited state spectroscopy was applied to study photoexcitations in conjugated polymers carrying tetracyanoanthraquinone type or fullerene moieties. This novel class of materials, hereafter called double-cable polymers, was found promising as alternative to the conjugated polymer:fullerene mixtures currently used for the preparation of 'bulk-heterojunction' polymeric solar cells. (author)

Controllable Absorption and Dispersion Properties of an RF-driven Five-Level Atom in a Double-Band Photonic-Band-Gap Material

International Nuclear Information System (INIS)

Ding Chunling; Li Jiahua; Yang Xiaoxue

2011-01-01

The probe absorption-dispersion spectra of a radio-frequency (RF)-driven five-level atom embedded in a photonic crystal are investigated by considering the isotropic double-band photonic-band-gap (PBG) reservoir. In the model used, the two transitions are, respectively, coupled by the upper and lower bands in such a PBG material, thus leading to some curious phenomena. Numerical simulations are performed for the optical spectra. It is found that when one transition frequency is inside the band gap and the other is outside the gap, there emerge three peaks in the absorption spectra. However, for the case that two transition frequencies lie inside or outside the band gap, the spectra display four absorption profiles. Especially, there appear two sharp peaks in the spectra when both transition frequencies exist inside the band gap. The influences of the intensity and frequency of the RF-driven field on the absorptive and dispersive response are analyzed under different band-edge positions. It is found that a transparency window appears in the absorption spectra and is accompanied by a very steep variation of the dispersion profile by adjusting system parameters. These results show that the absorption-dispersion properties of the system depend strongly on the RF-induced quantum interference and the density of states (DOS) of the PBG reservoir. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Co-speech hand movements during narrations: What is the impact of right vs. left hemisphere brain damage?

Science.gov (United States)

Hogrefe, Katharina; Rein, Robert; Skomroch, Harald; Lausberg, Hedda

2016-12-01

Persons with brain damage show deviant patterns of co-speech hand movement behaviour in comparison to healthy speakers. It has been claimed by several authors that gesture and speech rely on a single production mechanism that depends on the same neurological substrate while others claim that both modalities are closely related but separate production channels. Thus, findings so far are contradictory and there is a lack of studies that systematically analyse the full range of hand movements that accompany speech in the condition of brain damage. In the present study, we aimed to fill this gap by comparing hand movement behaviour in persons with unilateral brain damage to the left and the right hemisphere and a matched control group of healthy persons. For hand movement coding, we applied Module I of NEUROGES, an objective and reliable analysis system that enables to analyse the full repertoire of hand movements independent of speech, which makes it specifically suited for the examination of persons with aphasia. The main results of our study show a decreased use of communicative conceptual gestures in persons with damage to the right hemisphere and an increased use of these gestures in persons with left brain damage and aphasia. These results not only suggest that the production of gesture and speech do not rely on the same neurological substrate but also underline the important role of right hemisphere functioning for gesture production. Copyright © 2016 Elsevier Ltd. All rights reserved.

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.

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

International Nuclear Information System (INIS)

Banerjee, Somik; Kumar, A.

2011-01-01

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

The chemical composition and band gap of amorphous Si:C:N:H layers

Energy Technology Data Exchange (ETDEWEB)

Swatowska, Barbara, E-mail: swatow@agh.edu.pl [AGH University of Science and Technology, Department of Electronics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Kluska, Stanislawa; Jurzecka-Szymacha, Maria [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Stapinski, Tomasz [AGH University of Science and Technology, Department of Electronics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Tkacz-Smiech, Katarzyna [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Av. 30, 30-059 Krakow (Poland)

2016-05-15

Highlights: • Six type of amorphous hydrogenated films were obtained and analysed. • Investigated chemical bondings strongly influenced energy gap values. • Analysed layers could be applied as semiconductors and also as dielectrics. - Abstract: In this work we presented the correlation between the chemical composition of amorphous Si:C:N:H layers of various content of silicon, carbon and nitrogen, and their band gap. The series of amorphous Si:C:N:H layers were obtained by plasma assisted chemical vapour deposition method in which plasma was generated by RF (13.56 MHz, 300 W) and MW (2.45 GHz, 2 kW) onto monocrystalline silicon Si(001) and borosilicate glass. Structural studies were based on FTIR transmission spectrum registered within wavenumbers 400–4000 cm{sup −1}. The presence of Si−C, Si−N, C−N, C=N, C=C, C≡N, Si−H and C−H bonds was shown. The values band gap of the layers have been determined from spectrophotometric and ellipsometric measurements. The respective values are contained in the range between 1.64 eV – characteristic for typical semiconductor and 4.21 eV – for good dielectric, depending on the chemical composition and atomic structure of the layers.

Electrical transport and optical band gap of NiFe2Ox thin films

Science.gov (United States)

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

2017-12-01

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

Photonic band gap properties of one-dimensional Thue-Morse all-dielectric photonic quasicrystal

Science.gov (United States)

Yue, Chenxi; Tan, Wei; Liu, Jianjun

2018-05-01

In this paper, the photonic band gap (PBG) properties of one-dimensional (1D) Thue-Morse photonic quasicrystal (PQC) S4 structure are theoretically investigated by using transfer matrix method in Bragg condition. The effects of the center wavelength, relative permittivity and incident angle on PBG properties are elaborately analyzed. Numerical results reveal that, in the case of normal incidence, the symmetry and periodicity properties of the photonic band structure are presented. As the center wavelength increases, the PBG center frequency and PBG width decrease while the photonic band structure is always symmetrical about the central frequency and the photonic band structure repeats periodically in the expanding observation frequency range. With the decrease of relative permittivity contrast, the PBG width and the relative PBG width gradually decreases until PBG disappears while the symmetry of the photonic band structure always exists. In the case of oblique incidence, as the incident angle increases, multiple narrow PBGs gradually merge into a wide PBG for the TE mode while for the TM mode, the number of PBG continuously decreases and eventually disappears, i.e., multiple narrow PBGs become a wide passband for the TM mode. The research results will provide a reference for the choice of the material, the incident angle for the PBG properties and its applications of 1D Thue-Morse PQC.

Structure and optical band gaps of (Ba,Sr)SnO{sub 3} films grown by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Schumann, Timo; Raghavan, Santosh; Ahadi, Kaveh; Kim, Honggyu; Stemmer, Susanne, E-mail: stemmer@mrl.ucsb.edu [Materials Department, University of California, Santa Barbara, California 93106-5050 (United States)

2016-09-15

Epitaxial growth of (Ba{sub x}Sr{sub 1−x})SnO{sub 3} films with 0 ≤ x ≤ 1 using molecular beam epitaxy is reported. It is shown that SrSnO{sub 3} films can be grown coherently strained on closely lattice and symmetry matched PrScO{sub 3} substrates. The evolution of the optical band gap as a function of composition is determined by spectroscopic ellipsometry. The direct band gap monotonously decreases with x from to 4.46 eV (x = 0) to 3.36 eV (x = 1). A large Burnstein-Moss shift is observed with La-doping of BaSnO{sub 3} films. The shift corresponds approximately to the increase in Fermi level and is consistent with the low conduction band mass.

Band gaps and localization of surface water waves over large-scale sand waves with random fluctuations

Science.gov (United States)

Zhang, Yu; Li, Yan; Shao, Hao; Zhong, Yaozhao; Zhang, Sai; Zhao, Zongxi

2012-06-01

Band structure and wave localization are investigated for sea surface water waves over large-scale sand wave topography. Sand wave height, sand wave width, water depth, and water width between adjacent sand waves have significant impact on band gaps. Random fluctuations of sand wave height, sand wave width, and water depth induce water wave localization. However, random water width produces a perfect transmission tunnel of water waves at a certain frequency so that localization does not occur no matter how large a disorder level is applied. Together with theoretical results, the field experimental observations in the Taiwan Bank suggest band gap and wave localization as the physical mechanism of sea surface water wave propagating over natural large-scale sand waves.

Effects of thermo-order-mechanical coupling on band structures in liquid crystal nematic elastomer porous phononic crystals.

Science.gov (United States)

Yang, Shuai; Liu, Ying

2018-08-01

Liquid crystal nematic elastomers are one kind of smart anisotropic and viscoelastic solids simultaneously combing the properties of rubber and liquid crystals, which is thermal sensitivity. In this paper, the wave dispersion in a liquid crystal nematic elastomer porous phononic crystal subjected to an external thermal stimulus is theoretically investigated. Firstly, an energy function is proposed to determine thermo-induced deformation in NE periodic structures. Based on this function, thermo-induced band variation in liquid crystal nematic elastomer porous phononic crystals is investigated in detail. The results show that when liquid crystal elastomer changes from nematic state to isotropic state due to the variation of the temperature, the absolute band gaps at different bands are opened or closed. There exists a threshold temperature above which the absolute band gaps are opened or closed. Larger porosity benefits the opening of the absolute band gaps. The deviation of director from the structural symmetry axis is advantageous for the absolute band gap opening in nematic state whist constrains the absolute band gap opening in isotropic state. The combination effect of temperature and director orientation provides an added degree of freedom in the intelligent tuning of the absolute band gaps in phononic crystals. Copyright © 2018 Elsevier B.V. All rights reserved.

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

NARCIS (Netherlands)

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

1996-01-01

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

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

Science.gov (United States)

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

2003-02-01

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

Left Ulnar Artery Pseudoaneurysm and Left Hand Swelling Simulated by Elephantiasis in a Patient with Neurofibromatosis Type 1

Directory of Open Access Journals (Sweden)

Ta-Pin Lee

2017-06-01

Full Text Available Elephantiasis is a condition featured by gross enlargement of body parts to massive proportions. Neurofibromatosis type 1 (NF1 is a multisystem genetic disorder. Vascular anomaly is one among the complications of NF1. We report a case of NF1 who had a left hand vascular pseudoaneurysm with left hand swelling mimicking elephantiasis. The characteristics of sonography make it an excellent imaging modality to investigate this sort of superficial vascular lesion.

Neural Model for Left-Handed CPW Bandpass Filter Loaded Split Ring Resonator

Science.gov (United States)

Liu, Haiwen; Wang, Shuxin; Tan, Mingtao; Zhang, Qijun

2010-02-01

Compact left-handed coplanar waveguide (CPW) bandpass filter loaded split ring resonator (SRR) is presented in this paper. The proposed filter exhibits a quasi-elliptic function response and its circuit size occupies only 12 × 11.8 mm2 (≈0.21 λg × 0.20 λg). Also, a simple circuit model is given and the parametric study of this filter is discussed. Then, with the aid of NeuroModeler software, a five-layer feed-forward perceptron neural networks model is built up to optimize the proposed filter design fast and accurately. Finally, this newly left-handed CPW bandpass filter was fabricated and measured. A good agreement between simulations and measurement verifies the proposed left-handed filter and the validity of design methodology.

Consideration of the band-gap tunability of BaSi2 by alloying with Ca or Sr based on the electronic structure calculations

International Nuclear Information System (INIS)

Imai, Yoji; Watanabe, Akio

2007-01-01

The electronic structures and total energies of BaSi 2 -SrSi 2 and BaSi 2 -CaSi 2 systems have been calculated using the first-principle pseudopotential method to clarify the band gap tunability of BaSi 2 by alloying with Sr or Ca. From an energetic consideration of the compounds where all the Ba I sites or all the Ba II sites of the BaSi 2 lattice are preferentially replaced by Sr or Ca, it is expected that the Ba I site will be preferentially replaced by Sr rather than the Ba II sites. Compounds where all the Ba II sites are replaced by Sr or all the Ba II or all the Ba I sites are replaced by Ca are energetically unfavorable compared to the undissolved system of BaSi 2 and SrSi 2 or CaSi 2 . The effect of the addition of Sr or Ca into the BaSi 2 lattice on the gap value is different depending on the replaced sites of Ba. The replacement of Ba I site by Sr will broaden the band gap of BaSi 2 , which is consistent with the observed results

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

Science.gov (United States)

Ferhati, H.; Djeffal, F.

2018-02-01

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

Band structures of phononic crystal composed of lattices with different periodic constants

International Nuclear Information System (INIS)

Hu, Jia-Guang; Xu, Wen

2014-01-01

With a square lattice mercury and water system being as the model, the band structures of nesting and compound phononic crystals with two different lattice constants were investigated using the method of the supercell plane wave expansion. It was observed that large band gaps can be achieved in low frequency regions by adjusting one of the lattice constants. Meanwhile, effects similar to interstitial impurity defects can be achieved with the increase of lattice constant of the phononic crystal. The corresponding defect modes can be stimulated in band gaps. The larger the lattice constant, the stronger the localization effect of defect modes on the wave. In addition, the change of the filling fraction of impurity exerts great influence on the frequency and localization of defect modes. Furthermore, the change of the position of impurity has notable influence on the frequency of defect modes and their localization. However, the geometry structure and orientation of impurity have little effect on the frequency of defect modes and their localization in the band gap.

Incorporation of ester groups into low band-gap diketopyrrolopyrrole containing polymers for solar cell applications

DEFF Research Database (Denmark)

Hu, Xiaolian; Zuo, Lijian; Fu, Weifei

2012-01-01

To increase the open circuit voltage (VOC) of polymer solar cells based on diketopyrrolopyrrole (DPP) containing polymers, the weakly electron-withdrawing thiophene-3,4-dicarboxylate unit was introduced into the polymer backbone. Two ester group functionalized DPP containing polymers, PCTDPP...... with a random structure and PDCTDPP with a regular structure, were designed and synthesized by the Stille coupling reaction. The resulting copolymers exhibit broad and strong absorption bands from 350 to 1000 nm with low optical band gaps below 1.40 eV. Through cyclic voltammetry measurements, it is found...

Band structures of two dimensional solid/air hierarchical phononic crystals

International Nuclear Information System (INIS)

Xu, Y.L.; Tian, X.G.; Chen, C.Q.

2012-01-01

The hierarchical phononic crystals to be considered show a two-order “hierarchical” feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

Band structures of two dimensional solid/air hierarchical phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Xu, Y.L.; Tian, X.G. [State Key Laboratory for Mechanical Structure Strength and Vibration, Xi' an Jiaotong University, Xi' an 710049 (China); Chen, C.Q., E-mail: chencq@tsinghua.edu.cn [Department of Engineering Mechanics, AML and CNMM, Tsinghua University, Beijing 100084 (China)

2012-06-15

The hierarchical phononic crystals to be considered show a two-order 'hierarchical' feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

Temperature dependence of the fundamental band gap parameters ...

Indian Academy of Sciences (India)

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

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

Science.gov (United States)

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

2016-11-03

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

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....

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-03-21

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

Cation substitution induced blue-shift of optical band gap

Indian Academy of Sciences (India)

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

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.

Multi-band circular polarizer based on a twisted triple split-ring resonator

International Nuclear Information System (INIS)

Wu Song; Huang Xiao-Jun; Yang He-Lin; Xiao Bo-Xun; Jin Yan

2014-01-01

A multi-band circular polarizer using a twisted triple split-ring resonator (TSRR) is presented and studied numerically and experimentally. At four distinct resonant frequencies, the incident linearly polarized wave can be transformed into left/right-handed circularly polarized waves. Numerical simulation results show that a y-polarized wave can be converted into a right-handed circularly polarized wave at 5.738 GHz and 9.218 GHz, while a left-handed circularly polarized wave is produced at 7.292 GHz and 10.118 GHz. The experimental results are in agreement with the numerical results. The surface current distributions are investigated to illustrate the polarization transformation mechanism. Furthermore, the influences of the structure parameters of the circular polarizer on transmission spectra are discussed as well. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

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

NARCIS (Netherlands)

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

2000-01-01

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

Controllable Synthesis of Band Gap-Tunable and Monolayer Transition Metal Dichalcogenide Alloys

Directory of Open Access Journals (Sweden)

Sheng-Han eSu

2014-07-01

Full Text Available The electronic and optical properties of transition metal dichalcogenide (TMD materials are directly governed by their energy gap; thus, the band gap engineering has become an important topic recently. Theoretical and some experimental results have indicated that these monolayer TMD alloys exhibit direct-gap properties and remain stable at room temperature, making them attractive for optoelectronic applications. Here we systematically compared the two approaches of forming MoS2xSe2(1-x monolayer alloys: selenization of MoS2 and sulfurization of MoSe2. The optical energy gap of as-grown CVD MoS2 can be continuously modulated from 1.86 eV (667 nm to 1.57 eV (790 nm controllable by the reaction temperature. Spectroscopic and microscopic evidences show that the Mo-S bonds can be replaced by the Mo-Se bonds in a random and homogeneous manner. By contrast, the replacement of Mo-Se by Mo-S does not randomly occur in the MoSe2 lattice, where the reaction preferentially occurs along the crystalline orientation of MoSe2 and thus the MoSe2/MoS2 biphases are easily observed in the alloys, which makes the optical band gap of these alloys distinctly different. Therefore, the selenization of metal disulfide is preferred and the proposed synthetic strategy opens up a simple route to control the atomic structure as well as optical properties of monolayer TMD alloys.