WorldWideScience

Sample records for band gap crystals

  1. 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

  2. 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.

  3. 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

  4. 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

  5. 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)

  6. 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....

  7. 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)

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Photonic band gap engineering in 2D photonic crystals

    Indian Academy of Sciences (India)

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

  15. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-12-19

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

  17. Photonic band gap engineering in 2D photonic crystals

    Indian Academy of Sciences (India)

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

  18. 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

  19. 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.

  20. 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.

  1. 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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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.

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

    International Nuclear Information System (INIS)

    Zhang Haifeng; Zheng Jianping; Zhu Rongjun

    2012-01-01

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

  9. 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

  10. 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.

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

    NARCIS (Netherlands)

    Yeganegi Dastgerdi, Elahe

    2014-01-01

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

  12. 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.

  13. 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.

  14. Acoustic beam splitting in a sonic crystal around a directional band gap

    International Nuclear Information System (INIS)

    Cicek Ahmet; Kaya Olgun Adem; Ulug Bulent

    2013-01-01

    Beam splitting upon refraction in a triangular sonic crystal composed of aluminum cylinders in air is experimentally and numerically demonstrated to occur due to finite source size, which facilitates circumvention of a directional band gap. Experiments reveal that two distinct beams emerge at crystal output, in agreement with the numerical results obtained through the finite-element method. Beam splitting occurs at sufficiently-small source sizes comparable to lattice periodicity determined by the spatial gap width in reciprocal space. Split beams propagate in equal amplitude, whereas beam splitting is destructed for oblique incidence above a critical incidence angle

  15. Composition-tuned band gap energy and refractive index in GaS{sub x}Se{sub 1−x} layered mixed crystals

    Energy Technology Data Exchange (ETDEWEB)

    Isik, Mehmet, E-mail: mehmet.isik@atilim.edu.tr [Department of Electrical and Electronics Engineering, Atilim University, 06836, Ankara (Turkey); Gasanly, Nizami [Department of Physics, Middle East Technical University, 06800, Ankara (Turkey); Virtual International Scientific Research Centre, Baku State University, 1148, Baku (Azerbaijan)

    2017-04-01

    Transmission and reflection measurements on GaS{sub x}Se{sub 1−x} mixed crystals (0 ≤ x ≤ 1) were carried out in the 400–1000 nm spectral range. Band gap energies of the studied crystals were obtained using the derivative spectra of transmittance and reflectance. The compositional dependence of band gap energy revealed that as sulfur (selenium) composition is increased (decreased) in the mixed crystals, band gap energy increases quadratically from 1.99 eV (GaSe) to 2.55 eV (GaS). Spectral dependencies of refractive indices of the mixed crystals were plotted using the reflectance spectra. It was observed that refractive index decreases nearly in a linear behavior with increasing band gap energy for GaS{sub x}Se{sub 1−x} mixed crystals. Moreover, the composition ratio of the mixed crystals was obtained from the energy dispersive spectroscopy measurements. The atomic compositions of the studied crystals are well-matched with composition x increasing from 0 to 1 by intervals of 0.25. - Highlights: • Transmission and reflection experiments were performed on GaS{sub x}Se{sub 1−x} mixed crystals. • Derivative spectra of transmittance and reflectance were used for analyses. • Compositional dependence of band gap energy and refractive index were reported.

  16. Emulation of two-dimensional photonic crystal defect modes in a photonic crystal with a three-dimensional photonic band gap

    Energy Technology Data Exchange (ETDEWEB)

    Povinelli, M. L.; Johnson, Steven G.; Fan, Shanhui; Joannopoulos, J. D.

    2001-08-15

    Using numerical simulations, we demonstrate the construction of two-dimensional- (2D-) like defect modes in a recently proposed 3D photonic crystal structure. These modes, which are confined in all three dimensions by a complete photonic band gap, bear a striking similarity to those in 2D photonic crystals in terms of polarization, field profile, and projected band structures. It is expected that these results will greatly facilitate the observation of widely studied 2D photonic-crystal phenomena in a realistic, 3D physical system.

  17. Emulation of two-dimensional photonic crystal defect modes in a photonic crystal with a three-dimensional photonic band gap

    International Nuclear Information System (INIS)

    Povinelli, M. L.; Johnson, Steven G.; Fan, Shanhui; Joannopoulos, J. D.

    2001-01-01

    Using numerical simulations, we demonstrate the construction of two-dimensional- (2D-) like defect modes in a recently proposed 3D photonic crystal structure. These modes, which are confined in all three dimensions by a complete photonic band gap, bear a striking similarity to those in 2D photonic crystals in terms of polarization, field profile, and projected band structures. It is expected that these results will greatly facilitate the observation of widely studied 2D photonic-crystal phenomena in a realistic, 3D physical system

  18. Local density of optical states in the band gap of a finite one-dimensional photonic crystal

    NARCIS (Netherlands)

    Yeganegi Dastgerdi, Elahe; Lagendijk, Aart; Mosk, Allard; Vos, Willem L.

    2014-01-01

    We study the local density of states (LDOS) in a finite photonic crystal, in particular in the frequency range of the band gap. We propose an original point of view on the band gap, which we consider to be the result of vacuum fluctuations in free space that tunnel in the forbidden range in the

  19. Band gap control in a line-defect magnonic crystal waveguide

    Energy Technology Data Exchange (ETDEWEB)

    Morozova, M. A., E-mail: mamorozovama@yandex.ru; Grishin, S. V.; Sadovnikov, A. V.; Romanenko, D. V.; Sharaevskii, Yu. P.; Nikitov, S. A. [Laboratory ' Metamaterials,' Saratov State University, Astrakhanskaya 83, Saratov 410012 (Russian Federation)

    2015-12-14

    We report on the experimental observation of the spin wave spectrum control in a line-defect magnonic crystal (MC) waveguide. We demonstrate the possibility to control the forbidden frequency band (band gap) for spin waves tuning the line-defect width. In particular, this frequency may be greater or lower than the one of 1D MC waveguide without line-defect. By means of space-resolved Brillouin light scattering technique, we study the localization of magnetization amplitude in the line-defect area. We show that the length of this localization region depends on the line-defect width. These results agree well with theoretical calculations of spin wave spectrum using the proposed model of two coupled magnonic crystal waveguides. The proposed simple geometry of MC with line-defect can be used as a logic and multiplexing block for application in the novel field of magnonic devices.

  20. 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.

  1. 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

  2. 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.

  3. 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.

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

    NARCIS (Netherlands)

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

    2007-01-01

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

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

    International Nuclear Information System (INIS)

    Savić-Šević, S

    2012-01-01

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

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

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

    International Nuclear Information System (INIS)

    Aly, Arafa H.; Mehaney, Ahmed

    2012-01-01

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

  13. Lamb wave band gaps in one-dimensional radial phononic crystal plates with periodic double-sided corrugations

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-01

    In this paper, we present the theoretical investigation of Lamb wave propagation in one-dimensional radial phononic crystal (RPC) plates with periodic double-sided corrugations. The dispersion relations, the power transmission spectra, and the displacement fields of the eigenmodes are studied by using the finite element method based on two-dimensional axial symmetry models in cylindrical coordinates. Numerical results show that the proposed RPC plates with periodic double-sided corrugations can yield several band gaps with a variable bandwidth for Lamb waves. The formation mechanism of band gaps in the double-sided RPC plates is attributed to the coupling between the Lamb modes and the in-phase and out-phases resonant eigenmodes of the double-sided corrugations. We investigate the evolution of band gaps in the double-sided RPC plates with the corrugation heights on both sides arranged from an asymmetrical distribution to a symmetrical distribution gradually. Significantly, with the introduction of symmetric double-sided corrugations, the antisymmetric Lamb mode is suppressed by the in-phase resonant eigenmodes of the double-sided corrugations, resulting in the disappearance of the lowest band gap. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically.

  14. Omnidirectional photonic band gap in magnetron sputtered TiO{sub 2}/SiO{sub 2} one dimensional photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Jena, S., E-mail: shuvendujena9@gmail.com [Atomic & Molecular Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Tokas, R.B.; Sarkar, P. [Atomic & Molecular Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Misal, J.S.; Maidul Haque, S.; Rao, K.D. [Photonics & Nanotechnology Section, BARC-Vizag, Autonagar, Atomic & Molecular Physics Division, Bhabha Atomic Research Centre facility, Visakhapatnam 530 012 (India); Thakur, S.; Sahoo, N.K. [Atomic & Molecular Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2016-01-29

    One dimensional photonic crystal (1DPC) of TiO{sub 2}/SiO{sub 2} multilayer has been fabricated by sequential asymmetric bipolar pulsed dc magnetron sputtering of TiO{sub 2} and radio frequency magnetron sputtering of SiO{sub 2} to achieve wide omnidirectional photonic band in the visible region. The microstructure and optical response of the TiO{sub 2}/SiO{sub 2} photonic crystal have been characterized by atomic force microscopy, scanning electron microscopy and spectrophotometry respectively. The surface of the photonic crystal is very smooth having surface roughness of 2.6 nm. Reflection and transmission spectra have been measured in the wavelength range 300 to 1000 nm for both transverse electric and transverse magnetic waves. Wide high reflection photonic band gap (∆ λ = 245 nm) in the visible and near infrared regions (592–837 nm) at normal incidence has been achieved. The measured photonic band gap (PBG) is found well matching with the calculated photonic band gap of an infinite 1DPC. The experimentally observed omnidirectional photonic band 592–668 nm (∆ λ = 76 nm) in the visible region with band to mid-band ratio ∆ λ/λ = 12% for reflectivity R > 99% over the incident angle range of 0°–70° is found almost matching with the calculated omnidirectional PBG. The omnidirectional reflection band is found much wider as compared to the values reported in literature so far in the visible region for TiO{sub 2}/SiO{sub 2} periodic photonic crystal. - Highlights: • TiO{sub 2}/SiO{sub 2} 1DPC has been fabricated using magnetron sputtering technique. • Experimental optical response is found good agreement with simulation results. • Wide omnidirectional photonic band in the visible spectrum has been achieved.

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

    Science.gov (United States)

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

    2018-04-01

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

  16. Enhancement of Faraday rotation at photonic-band-gap edge in garnet-based magnetophotonic crystals

    International Nuclear Information System (INIS)

    Zhdanov, A.G.; Fedyanin, A.A.; Aktsipetrov, O.A.; Kobayashi, D.; Uchida, H.; Inoue, M.

    2006-01-01

    Spectral dependences of Faraday rotation angle in one-dimensional garnet-based magnetophotonic crystals are considered. The enhancement of Faraday angle is demonstrated at the photonic band gap (PBG) edge both theoretically and experimentally. It is shown to be associated with the optical field localization in the magnetic layers of the structure. The advantages of magnetophotonic crystals in comparison with traditional magnetic microcavities are discussed. The specially designed microcavity structures optimized for the Faraday effect enhancement at the PBG edge are suggested

  17. 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.

  18. 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.

  19. Orientation dependence of dispersion and band gap of PIMNT single crystals

    Science.gov (United States)

    He, Chongjun; Chen, Hongbing; Wang, Jiming; Gu, Xiaorong; Wu, Tong; Liu, Youwen

    2018-01-01

    As piezoelectric materials, optical properties of xPb(In1/2Nb1/2)O3-(1-x-y)Pb(Mg1/3Nb2/3)O3-yPbTiO3 single crystals were not perfectly known. Here refractive indices and optical transmission of 0.25Pb(In1/2Nb1/2)O3-0.42Pb(Mg1/3Nb2/3)O3- 0.33PbTiO3 (PIMNT) single crystal are investigated after poled along different directions. Cauchy dispersion equations of the refractive indices were obtained by least square fitting, which can be used to calculate the refractive indices in the low absorption wavelength range. After poled along [011] direction, the optical transmission of PIMNT single crystal is more than 65% above 0.5 μm, which is much higher than that of [001] and [111] directions. Energy band gap was obtained from absorption coefficient.

  20. Energy Band Gap, Intrinsic Carrier Concentration and Fermi Level of CdTe Bulk Crystal between 304 K and 1067 K

    Science.gov (United States)

    Su, Ching-Hua

    2007-01-01

    Optical transmission measurements were performed on CdTe bulk single crystal. It was found that when a sliced and polished CdTe wafer was used, a white film started to develop when the sample was heated above 530 K and the sample became opaque. Therefore, a bulk crystal of CdTe was first grown in the window area by physical vapor transport; the optical transmission was then measured and from which the energy band gap was derived between 304 and 1067 K. The band gaps of CdTe can be fit well as a function of temperature using the Varshini expression: Eg (e V) = 1.5860 - 5.9117xl0(exp -4) T(sup 2)/(T + 160). Using the band gap data, the high temperature electron-hole equilibrium was calculated numerically by assuming the Kane's conduction band structure and a heavy-hole parabolic valance band. The calculated intrinsic carrier concentrations agree well with the experimental data reported previously. The calculated intrinsic Fermi levels between 270 and 1200 K were also presented.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. Study of wide band-gap crystal LiCaAlF6 by IR-reflection spectroscopy and ab initio calculations

    International Nuclear Information System (INIS)

    Novikova, N.N.; Klimin, S.A.; Mavrin, B.N.

    2017-01-01

    Polarized IR-reflection spectra and results of ab initio calculations of vibrational and electronic properties of LiCaAlF6 single crystal are presented. It is shown that the crystal band gap is direct. Experimental and theoretical parameters are obtained for dipole-active and all phonons, respectively, including silent modes. Experimental IR-reflection and Raman spectra are well described in the frame of results obtained by ab initio calculations. The peculiarities are discussed concerning the structure of electronic bands, the interatomic interactions, the character of lattice vibrations, and the phonon dispersion.

  8. Pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} on amorphous dielectric layers towards monolithic 3D photonic integration

    Energy Technology Data Exchange (ETDEWEB)

    Li, Haofeng; Brouillet, Jeremy; Wang, Xiaoxin; Liu, Jifeng, E-mail: Jifeng.Liu@dartmouth.edu [Thayer School of Engineering, Dartmouth College, Hanover, New Hampshire 03755 (United States)

    2014-11-17

    We demonstrate pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} crystallized on amorphous layers at <450 °C towards 3D Si photonic integration. We developed two approaches to seed the lateral single crystal growth: (1) utilize the Gibbs-Thomson eutectic temperature depression at the tip of an amorphous GeSn nanotaper for selective nucleation; (2) laser-induced nucleation at one end of a GeSn strip. Either way, the crystallized Ge{sub 0.89}Sn{sub 0.11} is dominated by a single grain >18 μm long that forms optoelectronically benign twin boundaries with others grains. These pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} patterns are suitable for monolithic 3D integration of active photonic devices on Si.

  9. 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.

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

    Science.gov (United States)

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

    2016-02-25

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

  11. Anhydrous crystals of DNA bases are wide gap semiconductors.

    Science.gov (United States)

    Maia, F F; Freire, V N; Caetano, E W S; Azevedo, D L; Sales, F A M; Albuquerque, E L

    2011-05-07

    We present the structural, electronic, and optical properties of anhydrous crystals of DNA nucleobases (guanine, adenine, cytosine, and thymine) found after DFT (Density Functional Theory) calculations within the local density approximation, as well as experimental measurements of optical absorption for powders of these crystals. Guanine and cytosine (adenine and thymine) anhydrous crystals are predicted from the DFT simulations to be direct (indirect) band gap semiconductors, with values 2.68 eV and 3.30 eV (2.83 eV and 3.22 eV), respectively, while the experimentally estimated band gaps we have measured are 3.83 eV and 3.84 eV (3.89 eV and 4.07 eV), in the same order. The electronic effective masses we have obtained at band extremes show that, at low temperatures, these crystals behave like wide gap semiconductors for electrons moving along the nucleobases stacking direction, while the hole transport are somewhat limited. Lastly, the calculated electronic dielectric functions of DNA nucleobases crystals in the parallel and perpendicular directions to the stacking planes exhibit a high degree of anisotropy (except cytosine), in agreement with published experimental results.

  12. The influence of fabrication deviations on the photonic band gap of three-dimensional inverse woodpile nanostructures

    NARCIS (Netherlands)

    Woldering, L.A.; Mosk, Allard; Tjerkstra, R.W.; Vos, Willem L.

    2009-01-01

    The effects of unintended deviations from ideal inverse woodpile photonic crystals on the photonic band gap are discussed. Such deviations occur during the nanofabrication of the crystal. By computational analyses it is shown that the band gap of this type of crystal is robust to most types of

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

    Directory of Open Access Journals (Sweden)

    Feroz A. Mir

    2014-01-01

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

  14. 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.

  15. Tunable band structures in digital oxides with layered crystal habits

    Science.gov (United States)

    Shin, Yongjin; Rondinelli, James M.

    2017-11-01

    We use density functional calculations to show that heterovalent cation-order sequences enable control over band-gap variations up to several eV and band-gap closure in the bulk band insulator LaSrAlO4. The band-gap control originates from the internal electric fields induced by the digital chemical order, which induces picoscale band bending; the electric-field magnitude is mainly governed by the inequivalent charged monoxide layers afforded by the layered crystal habit. Charge transfer and ionic relaxations across these layers play secondary roles. This understanding is used to construct and validate a descriptor that captures the layer-charge variation and to predict changes in the electronic gap in layered oxides exhibiting antisite defects and in other chemistries.

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

    Directory of Open Access Journals (Sweden)

    Y. Li

    2017-05-01

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

  17. 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

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

    Science.gov (United States)

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

    2005-08-01

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

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

    Indian Academy of Sciences (India)

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

  20. 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

  1. 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

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

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

    DEFF Research Database (Denmark)

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

    2003-01-01

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

  4. 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

  5. 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

  6. 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)

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

    Science.gov (United States)

    Su, Ching-Hua; Sha, Yi-Gao

    1995-01-01

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

  8. 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

  9. 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

  10. Strong Photonic-Band-Gap Effect on the Spontaneous Emission in 3D Lead Halide Perovskite Photonic Crystals.

    Science.gov (United States)

    Zhou, Xue; Li, Mingzhu; Wang, Kang; Li, Huizeng; Li, Yanan; Li, Chang; Yan, Yongli; Zhao, Yongsheng; Song, Yanlin

    2018-03-25

    Stimulated emission in perovskite-embedded polymer opal structures is investigated. A polymer opal structure is filled with a perovskite, and perovskite photonic crystals are prepared. The spontaneous emission of the perovskite embedded in the polymer opal structures exhibits clear signatures of amplified spontaneous emission (ASE) via gain modulation. The difference in refractive-index contrast between the perovskite and the polymer opal is large enough for retaining photonic-crystals properties. The photonic band gap has a strong effect on the fluorescence emission intensity and lifetime. The stimulated emission spectrum exhibits a narrow ASE rather than a wide fluorescence peak in the thin film. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. 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

  12. 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.

  13. 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.

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

    Indian Academy of Sciences (India)

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

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

    Directory of Open Access Journals (Sweden)

    Detlef Klimm

    2014-09-01

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

  16. Acoustic Band Gaps in Three-Dimensional NaCl-Type Acoustic Crystals

    International Nuclear Information System (INIS)

    Nong-Yu, Fang; Fu-Gen, Wu; Xin, Zhang

    2008-01-01

    We present the acoustic band gaps (ABGs) for a geometry of three-dimensional complex acoustic crystals: the NaCl-type structure. By using the super cell method based on the plane-wave expansion method (PWE), we study the three configurations formed by water objects (either a sphere of different sizes or a cube) located at the vertices of simple cubic (SC) lattice and surrounded by mercury background. The numerical results show that ABGs larger than the original SC structure for all the three configurations can be obtained by adjusting the length-diameter ratio of adjacent objects but keeping the filling fraction (f = 0.25) of the unit cell unchanged. We also compare our results with that of 3D solid composites and find that the ABGs in liquid composites are insensitive to the shapes as that in the solid composites. We further prove that the decrease of the translation group symmetry is more efficient in creating the ABGs in 3D water-mercury systems. (fundamental areas of phenomenology (including applications))

  17. 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

  18. 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.

  19. 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

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

    Directory of Open Access Journals (Sweden)

    Zhen Li

    2017-01-01

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

  1. 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.

  2. 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.

  3. Experimental demonstrations in audible frequency range of band gap tunability and negative refraction in two-dimensional sonic crystal.

    Science.gov (United States)

    Pichard, Hélène; Richoux, Olivier; Groby, Jean-Philippe

    2012-10-01

    The propagation of audible acoustic waves in two-dimensional square lattice tunable sonic crystals (SC) made of square cross-section infinitely rigid rods embedded in air is investigated experimentally. The band structure is calculated with the plane wave expansion (PWE) method and compared with experimental measurements carried out on a finite extend structure of 200 cm width, 70 cm depth and 15 cm height. The structure is made of square inclusions of 5 cm side with a periodicity of L = 7.5 cm placed inbetween two rigid plates. The existence of tunable complete band gaps in the audible frequency range is demonstrated experimentally by rotating the scatterers around their vertical axis. Negative refraction is then analyzed by use of the anisotropy of the equi-frequency surface (EFS) in the first band and of a finite difference time domain (FDTD) method. Experimental results finally show negative refraction in the audible frequency range.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. single crystal growth, x-ray structure analysis, optical band gap

    African Journals Online (AJOL)

    2015-09-01

    Sep 1, 2015 ... Hg...Hgand Cl...Cl interactions are stabilizing the structures in 3D pattern. UV-vis absorption spectra illustrate the change in opticalband gap from 3.01eVto 3.42eV on replacing the metal halide group.Raman and Hyper-Raman tensors calculations were performed based on single crystal X-ray data and the ...

  9. 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.

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

    Indian Academy of Sciences (India)

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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2001-02-01

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

  16. Multichannel tunable omnidirectional photonic band gaps of 1D ternary photonic crystal containing magnetized cold plasma

    Science.gov (United States)

    Awasthi, Suneet Kumar; Panda, Ranjita; Chauhan, Prashant Kumar; Shiveshwari, Laxmi

    2018-05-01

    By using the transfer matrix method, theoretical investigations have been carried out in the microwave region to study the reflection properties of multichannel tunable omnidirectional photonic bandgaps (OPBGs) based on the magneto-optic Faraday effect. The proposed one dimensional ternary plasma photonic crystal consists of alternate layers of quartz, magnetized cold plasma (MCP), and air. In the absence of an external magnetic field, the proposed structure possesses two OPBGs induced by Bragg scattering and is strongly dependent on the incident angle, the polarization of the incident light, and the lattice constant unlike to the single-negative gap and zero- n ¯ gap. Next, the reflection properties of OPBGs have been made tunable by the application of external magnetic field under right hand and left hand polarization configurations. The results of this manuscript may be utilized for the development of a new kind of tunable omnidirectional band stop filter with ability to completely stop single to multiple bands (called channels) of microwave frequencies in the presence of external static magnetic field under left-hand polarization and right-hand polarization configurations, respectively. Moreover, outcomes of this study open a promising way to design tunable magneto-optical devices, omnidirectional total reflectors, and planar waveguides of high Q microcavities as a result of evanescent fields in the MCP layer to allow propagation of light.

  17. 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)

  18. Coupled polaritonic band gaps in the anisotropic piezoelectric superlattices

    Science.gov (United States)

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

    2018-01-01

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

  19. Geometric phase for a two-level system in photonic band gab crystal

    Science.gov (United States)

    Berrada, K.

    2018-05-01

    In this work, we investigate the geometric phase (GP) for a qubit system coupled to its own anisotropic and isotropic photonic band gap (PBG) crystal environment without Born or Markovian approximation. The qubit frequency affects the GP of the qubit directly through the effect of the PBG environment. The results show the deviation of the GP depends on the detuning parameter and this deviation will be large for relatively large detuning of atom frequency inside the gap with respect to the photonic band edge. Whereas for detunings outside the gap, the GP of the qubit changes abruptly to zero, exhibiting collapse phenomenon of the GP. Moreover, we find that the GP in the isotropic PBG photonic crystal is more robust than that in the anisotropic PBG under the same condition. Finally, we explore the relationship between the variation of the GP and population in terms of the physical parameters.

  20. Review of wide band-gap semiconductors technology

    Directory of Open Access Journals (Sweden)

    Jin Haiwei

    2016-01-01

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

  1. 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

  2. Electronic structures and band gaps of chains and sheets based on phenylacetylene units

    International Nuclear Information System (INIS)

    Kondo, Masakazu; Nozaki, Daijiro; Tachibana, Masamitsu; Yumura, Takashi; Yoshizawa, Kazunari

    2005-01-01

    We investigate the electronic structures of polymers composed of π-conjugated phenylacetylene (PA) units, m-PA-based and p-PA-based wires, at the extended Hueckel level of theory. It is demonstrated that these conjugated systems should have a variety of electric conductance. All of the one-dimensional (1D) chains and the two-dimensional (2D) sheet based on the m-PA unit are insulators with large band gaps of 2.56 eV because there is no effective orbital interaction with neighboring chains. On the other hand, p-PA-based 1D chains have relatively small band gaps that decrease with an increase in chain width (1.17-1.74 eV) and are semiconductive. The p-PA-based sheet called 'graphyne', a 2D-limit of the p-PA-based 1D chains, shows a small band gap of 0.89 eV. The variety of band electronic structures is discussed in terms of frontier crystal orbitals

  3. Highly effective strain-induced band-engineering of (111) oriented, direct-gap GeSn crystallized on amorphous SiO{sub 2} layers

    Energy Technology Data Exchange (ETDEWEB)

    Li, Haofeng; Wang, Xiaoxin; Liu, Jifeng, E-mail: Jifeng.Liu@dartmouth.edu [Thayer School of Engineering, Dartmouth College, 14 Engineering Drive, Hanover, New Hampshire 03755 (United States)

    2016-03-07

    We demonstrate highly effective strain-induced band-engineering of (111) oriented direct-gap Ge{sub 1−x}Sn{sub x} thin films (0.074 < x < 0.085) crystallized on amorphous SiO{sub 2} towards 3D photonic integration. Due to a much smaller Poisson's ratio for (111) vs. (100) orientation, 0.44% thermally induced biaxial tensile strain reduces the direct-gap by 0.125 eV towards enhanced direct-gap semiconductor properties, twice as effective as the tensile strain in Ge(100) films. Correspondingly, the optical response is extended to λ = 2.8 μm. A dilatational deformation potential of a = −12.8 ± 0.8 eV is derived. These GeSn films also demonstrate high thermal stability, offering both excellent direct-gap optoelectronic properties and fabrication/operation robustness for integrated photonics.

  4. Low frequency phononic band structures in two-dimensional arc-shaped phononic crystals

    International Nuclear Information System (INIS)

    Xu, Zhenlong; Wu, Fugen; Guo, Zhongning

    2012-01-01

    The low frequency phononic band structures of two-dimensional arc-shaped phononic crystals (APCs) were studied by the transfer matrix method in cylindrical coordinates. The results showed the first phononic band gaps (PBGs) of APCs from zero Hz with low modes. Locally resonant (LR) gaps were obtained with higher-order rotation symmetry, due to LR frequencies corresponding to the speeds of acoustic waves in the materials. These properties can be efficiently used in a structure for low frequencies that are forbidden, or in a device that permits a narrow window of frequencies. -- Highlights: ► We report a new class of quasi-periodic hetero-structures, arc-shaped phononic crystals (APCs). ► The results show the first PBGs start with zero Hz with low modes. ► Locally resonant (LR) gaps were obtained with higher-order rotation symmetry, due to LR frequencies corresponding to the speeds of acoustic waves in the materials.

  5. 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

  6. L-Asparagine crystals with wide gap semiconductor features: optical absorption measurements and density functional theory computations.

    Science.gov (United States)

    Zanatta, G; Gottfried, C; Silva, A M; Caetano, E W S; Sales, F A M; Freire, V N

    2014-03-28

    Results of optical absorption measurements are presented together with calculated structural, electronic, and optical properties for the anhydrous monoclinic L-asparagine crystal. Density functional theory (DFT) within the generalized gradient approximation (GGA) including dispersion effects (TS, Grimme) was employed to perform the calculations. The optical absorption measurements revealed that the anhydrous monoclinic L-asparagine crystal is a wide band gap material with 4.95 eV main gap energy. DFT-GGA+TS simulations, on the other hand, produced structural parameters in very good agreement with X-ray data. The lattice parameter differences Δa, Δb, Δc between theory and experiment were as small as 0.020, 0.051, and 0.022 Å, respectively. The calculated band gap energy is smaller than the experimental data by about 15%, with a 4.23 eV indirect band gap corresponding to Z → Γ and Z → β transitions. Three other indirect band gaps of 4.30 eV, 4.32 eV, and 4.36 eV are assigned to α3 → Γ, α1 → Γ, and α2 → Γ transitions, respectively. Δ-sol computations, on the other hand, predict a main band gap of 5.00 eV, just 50 meV above the experimental value. Electronic wavefunctions mainly originating from O 2p-carboxyl, C 2p-side chain, and C 2p-carboxyl orbitals contribute most significantly to the highest valence and lowest conduction energy bands, respectively. By varying the lattice parameters from their converged equilibrium values, we show that the unit cell is less stiff along the b direction than for the a and c directions. Effective mass calculations suggest that hole transport behavior is more anisotropic than electron transport, but the mass values allow for some charge mobility except along a direction perpendicular to the molecular layers of L-asparagine which form the crystal, so anhydrous monoclinic L-asparagine crystals could behave as wide gap semiconductors. Finally, the calculations point to a high degree of optical

  7. L-asparagine crystals with wide gap semiconductor features: Optical absorption measurements and density functional theory computations

    Energy Technology Data Exchange (ETDEWEB)

    Zanatta, G.; Gottfried, C. [Departamento de Bioquímica, Universidade Federal do Rio Grande do Sul, 90035-003 Porto Alegre-RS (Brazil); Silva, A. M. [Universidade Estadual do Piauí, 64260-000 Piripiri-Pi (Brazil); Caetano, E. W. S., E-mail: ewcaetano@gmail.com [Instituto de Educação, Ciência e Tecnologia do Ceará, 60040-531 Fortaleza-CE (Brazil); Sales, F. A. M.; Freire, V. N. [Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, 60455-760 Fortaleza-CE (Brazil)

    2014-03-28

    Results of optical absorption measurements are presented together with calculated structural, electronic, and optical properties for the anhydrous monoclinic L-asparagine crystal. Density functional theory (DFT) within the generalized gradient approximation (GGA) including dispersion effects (TS, Grimme) was employed to perform the calculations. The optical absorption measurements revealed that the anhydrous monoclinic L-asparagine crystal is a wide band gap material with 4.95 eV main gap energy. DFT-GGA+TS simulations, on the other hand, produced structural parameters in very good agreement with X-ray data. The lattice parameter differences Δa, Δb, Δc between theory and experiment were as small as 0.020, 0.051, and 0.022 Å, respectively. The calculated band gap energy is smaller than the experimental data by about 15%, with a 4.23 eV indirect band gap corresponding to Z → Γ and Z → β transitions. Three other indirect band gaps of 4.30 eV, 4.32 eV, and 4.36 eV are assigned to α3 → Γ, α1 → Γ, and α2 → Γ transitions, respectively. Δ-sol computations, on the other hand, predict a main band gap of 5.00 eV, just 50 meV above the experimental value. Electronic wavefunctions mainly originating from O 2p–carboxyl, C 2p–side chain, and C 2p–carboxyl orbitals contribute most significantly to the highest valence and lowest conduction energy bands, respectively. By varying the lattice parameters from their converged equilibrium values, we show that the unit cell is less stiff along the b direction than for the a and c directions. Effective mass calculations suggest that hole transport behavior is more anisotropic than electron transport, but the mass values allow for some charge mobility except along a direction perpendicular to the molecular layers of L-asparagine which form the crystal, so anhydrous monoclinic L-asparagine crystals could behave as wide gap semiconductors. Finally, the calculations point to a high degree of optical

  8. Influence of filling fraction on the defect mode and gap closing of a one-dimensional photonic crystal: An analytical approach

    International Nuclear Information System (INIS)

    Ansari, N.; Tehranchi, M.M.

    2010-01-01

    Study of the optical properties of the one-dimensional defective photonic crystals using the gap map is improving through the emergence of new analytical methods, which are easy and without any physical restrictions. Gap map is able to monitor the changes in the defect mode frequencies and photonic band gap regions as a function of filling fractions, and all visible spectra in a single graphic presentation. In this paper, by utilizing a novel technique based on Green's function method for analyzing the defect modes, the gap map and gap closing point of a one-dimensional defective photonic crystal have been demonstrated. This method enables study of the defect modes inside the omnidirectional band gap, which is an important object in the designing of the optical filters. Moreover, as a designing criterion, obtaining the gap closing points inside the gap map enables finding of some filling fraction intervals that each one contains several distinct omnidirectional band gaps simultaneously, using a single photonic crystal. This method has been employed for the design of an optical filter at 1.3 and 1.55 μm, which is applicable for telecommunication.

  9. 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.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  11. Tunability of band structures in a two-dimensional magnetostrictive phononic crystal plate with stress and magnetic loadings

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shunzu; Shi, Yang [Key Laboratory of Mechanics on Disaster and Environment in Western China attached to the Ministry of Education of China, Lanzhou University, Lanzhou, Gansu 730000 (China); Department of Mechanics and Engineering Sciences, College of Civil Engineering and Mechanics, Lanzhou University, Lanzhou, Gansu 730000 (China); Gao, Yuanwen, E-mail: ywgao@lzu.edu.cn [Key Laboratory of Mechanics on Disaster and Environment in Western China attached to the Ministry of Education of China, Lanzhou University, Lanzhou, Gansu 730000 (China); Department of Mechanics and Engineering Sciences, College of Civil Engineering and Mechanics, Lanzhou University, Lanzhou, Gansu 730000 (China)

    2017-03-26

    Considering the magneto-mechanical coupling of magnetostrictive material, the tunability of in-plane wave propagation in two-dimensional Terfenol-D/epoxy phononic crystal (PC) plate is investigated theoretically by the plane wave expansion method. Two Schemes, i.e. magnetic field is rotated in x–y plane and x–z plane, are studied, respectively. The effects of amplitude and direction of magnetic field, pre-stress and geometric parameters are discussed. For Scheme-I, band gap reaches the maximum at an optimal angle 45° of magnetic field. However, the optimal angle is 0° for Scheme-II, because band gap decreases monotonically until disappears with the increasing angle. For both cases, higher-order band gaps generate and become stronger as magnetic field amplitude increases, while increasing compressive pre-stress has the opposite effect. Meanwhile, filling fraction plays a key role in controlling band gaps. These results provide possibility for intelligent regulation and optimal design of PC plates. - Highlights: • The in-plane wave propagation in phononic crystal thin plate is tuned theoretically. • Magnetostrictive material is introduced in the study. • The effects of magnetic field and pre-stress are considered. • The variations of band gaps with external stimuli are discussed.

  12. 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.

  13. Interaction of the Bragg gap with polaritonic gap in opal photonic crystals

    Science.gov (United States)

    Nayer, Eradat; Sivachenko, Andrey Yu; Li, Sergey; Raikh, Mikhail E.; Valy Vardeny, Z.

    2001-03-01

    Photonic crystals (PC) are a class of artificial structures with a periodic dielectric function. PCs can be a laboratory for testing fundamental processes involving interactions of radiation with matter in novel conditions. We have studied the optical properties of opal PCs that are infiltrated with highly polarizable media such as j-aggregates of cyanine dyes. Opals are self- assembled structures of silica (SiO_2) spheres. We report our studies on clarifying the relationship between a polaritonic gap and a photonic stop band (Bragg gap) when they resonantly coexist in the same structure. Infiltration of opal with polarizable molecules combines the polaritonic and Bragg diffractive effects. Both effects exist independently when the Bragg (at ω=ω_B) and polaritonic (at ω=ω_T) resonances are well separated in frequency. A completely different situation occurs when ωT =ω_B. Such a condition was achieved in opals that were infiltrated with J-aggregates of cyanine dyes that have large Rabi frequency. Our measurements show some dramatic changes in the shape of the reflectivity plateaus, which are due to the interplay between the photonic band gap and the polaritonic gap. The experimental results on reflectivity and its dependence on the light propagation angle and concentration of the cyanie dyes are in agreement with the theoretical calculations. (The work was supported in part by Army Research office DAAD19-00-1-0406.)

  14. The superconducting gaps of C-substituted and Al-substituted MgB2 single crystals by point-contact spectroscopy

    International Nuclear Information System (INIS)

    Daghero, D.; Gonnelli, R.S.; Ummarino, G.A.; Calzolari, A.; Dellarocca, Valeria; Stepanov, V.A.; Zhigadlo, N.; Kazakov, S.M.; Karpinski, J.

    2005-01-01

    We studied the effects of carbon and aluminum substitutions on the gaps of the two-band superconductor MgB 2 by means of point-contact measurements in Mg(B 1-x C x ) 2 and Mg 1-y Al y B 2 single crystals with 0≤x≤0.132 and 0≤y≤0.21. The gap amplitudes, Δ ω and Δ π , were determined by fitting the conductance curves of the point contacts with the standard Blonder-Tinkham-Klapwijk (BTK) model generalized to the two-band case. Whenever possible, their values were confirmed by the independent fit (with a single-band BTK model) of the partial contribution of the two bands to the conductance, separated by means of a suitable magnetic field B*. In C-substituted crystals, the two gaps remain clearly distinct up to x∝0.10, but at x=0.132 we observed for the first time their merging into a single gap Δ≅3 meV with a gap ratio 2Δ=k B T c close to the standard BCS value. In Al-substituted crystals, we found no evidence of this gap merging. Instead, Δ π reaches the value 0.4 meV at y=0.21, where Δ π saturates at about 4 meV. These results are compared with other recent experimental findings in polycrystals and with the predictions of the models for multiband superconductivity. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Variation of the energy gap of the SbSI crystals at ferroelectric phase transition

    International Nuclear Information System (INIS)

    Audzijonis, A.; Zaltauskas, R.; Zigas, L.; Vinokurova, I.V.; Farberovich, O.V.; Pauliukas, A.; Kvedaravicius, A.

    2006-01-01

    Variation of the forbidden gap of SbSI crystals in the phase transition region is analyzed on the pseudopotential method for antiferroelectric and ferroelectric phase. The band gap at several special points of the Brillouin zone and some characteristic parameters of the band are considered. During the phase transition, the most significant changes are observed with the valence band top at points Q, C, R, H, E and with the conduction band bottom at points H, T and E of the Brillouin zone. At the ferroelectric phase transition, the valence and conduction bands change due to displacement of Sb and S atoms with respect to I and with respect to each other as a result of order-disorder and displacement-type transition. The obtained band gap values agree quite well with the experiment. This is apparently due to application of neutral rather than ionic atomic functions and inclusion of sufficiently many plane waves in the basis set for calculation

  16. Zero permeability and zero permittivity band gaps in 1D metamaterial photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Depine, Ricardo A. [Grupo de Electromagnetismo Aplicado, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon I, C1428EHA Buenos Aires (Argentina); Martinez-Ricci, Maria L. [Grupo de Electromagnetismo Aplicado, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon I, C1428EHA Buenos Aires (Argentina); Monsoriu, Juan A. [Departamento de Fisica Aplicada, Universidad Politecnica de Valencia, 46022 Valencia (Spain)]. E-mail: jmonsori@fis.upv.es; Silvestre, Enrique [Departamento de Optica, Universidad de Valencia, 46100 Burjassot (Spain); Andres, Pedro [Departamento de Optica, Universidad de Valencia, 46100 Burjassot (Spain)

    2007-04-30

    We consider layered heterostructures combining ordinary positive index materials and dispersive metamaterials. We show that these structures can exhibit a new type of photonic gap around frequencies where either the magnetic permeability {mu} or the electric permittivity {epsilon} of the metamaterial is zero. Although the interface of a semi-infinite medium with zero refractive index (a condition attained either when {mu}=0 or when {epsilon}=0) is known to give full reflectivity for all incident polarizations, here we show that a gap corresponding to {mu}=0 occurs only for TE polarized waves, whereas a gap corresponding to {epsilon}=0 occurs only for TM polarized waves. These band gaps are scale-length invariant and very robust against disorder, although they may disappear for the particular case of propagation along the stratification direction.

  17. Zero permeability and zero permittivity band gaps in 1D metamaterial photonic crystals

    International Nuclear Information System (INIS)

    Depine, Ricardo A.; Martinez-Ricci, Maria L.; Monsoriu, Juan A.; Silvestre, Enrique; Andres, Pedro

    2007-01-01

    We consider layered heterostructures combining ordinary positive index materials and dispersive metamaterials. We show that these structures can exhibit a new type of photonic gap around frequencies where either the magnetic permeability μ or the electric permittivity ε of the metamaterial is zero. Although the interface of a semi-infinite medium with zero refractive index (a condition attained either when μ=0 or when ε=0) is known to give full reflectivity for all incident polarizations, here we show that a gap corresponding to μ=0 occurs only for TE polarized waves, whereas a gap corresponding to ε=0 occurs only for TM polarized waves. These band gaps are scale-length invariant and very robust against disorder, although they may disappear for the particular case of propagation along the stratification direction

  18. 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.

  19. 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.

  20. Self-imaging effect of TM modes in photonic crystal multimode waveguides only exhibiting band gaps for TE modes

    International Nuclear Information System (INIS)

    Yu Tianbao; Jiang Xiaoqing; Yang Jianyi; Zhou Haifeng; Liao Qinghua; Wang Minghua

    2007-01-01

    This Letter presents the properties of transverse-magnetic (TM) modes in multimode photonic crystal waveguides (PCWs), which only exhibit photonic band gaps for transverse-electric (TE) modes. A good equivalent model is applied to analysis the designed structures on the basis of multimode interference effect and self-imaging principle. The performance shows that the TM modes can also be propagated with high efficiency, and resemble index-guided modes owing to the combination of total internal reflection (TIR) and distribution Bragg reflection. It provides a novel way to realize the components for both TM and TE polarizations by combining PBG and TIR effect in PCWs. As one of potential applications, polarization-insensitive power splitter based on the proposed structures can be designed

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

    Directory of Open Access Journals (Sweden)

    Thi Dep Ha

    2016-04-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-15

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

  3. Band-gap narrowing of TiO2 films induced by N-doping

    International Nuclear Information System (INIS)

    Nakano, Y.; Morikawa, T.; Ohwaki, T.; Taga, Y.

    2006-01-01

    N-doped TiO 2 films were deposited on n + -GaN/Al 2 O 3 substrates by reactive magnetron sputtering and subsequently crystallized by annealing at 550 o C in flowing N 2 gas. The N-doping concentration was ∼8.8%, as determined from X-ray photoelectron spectroscopy measurements. Deep-level optical spectroscopy measurements revealed two characteristic deep levels located at 1.18 and 2.48 eV below the conduction band. The 1.18 eV level is probably attributable to the O vacancy state and can be active as an efficient generation-recombination center. Additionally, the 2.48 eV band is newly introduced by the N-doping and contributes to band-gap narrowing by mixing with the O 2p valence band

  4. 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...

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

    DEFF Research Database (Denmark)

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

    2003-01-01

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

  6. 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

  7. Optimum design of band-gap beam structures

    DEFF Research Database (Denmark)

    Olhoff, Niels; Niu, Bin; Cheng, Gengdong

    2012-01-01

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

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

    Science.gov (United States)

    2003-11-01

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

  9. Phase change and optical band gap behavior of Se0.8S0.2 chalcogenide glass films

    International Nuclear Information System (INIS)

    Abdel Rafea, M.; Farid, Huda

    2009-01-01

    Se 0.8 S 0.2 chalcogenide glass films have been prepared by thermal vacuum evaporation technique with thickness 583 nm. Annealing process at T ≥ 333 K crystallizes the films and nanostructured films are formed. The crystallite size was increased to 24 nm as the annealing temperature increased to 373 K. Orthorhombic crystalline system was identified for the annealed films. SEM micrographs show that films consist of two parallel surfaces and the thickness was determined by cross section imaging. The optical transmittance is characterized by interference patterns as a result of these two parallel surfaces, besides their average value at longer wavelength decreases as a result of annealing process. The band gap, E g is red shifted due to crystallization by annealing. As the phase of the films changes from amorphous to crystalline in the annealing temperature range 333-363 K, a non sharp change of the band gap (E g ) is observed. This change was explained by Brus's model of the energy gap confinement behavior of the nanostructured films. The optical refractive index increases suddenly when the system starts to be crystallized by annealing

  10. Spatial filtering with photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Maigyte, Lina [Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Rambla Sant Nebridi 22, Terrassa 08222 (Spain); Staliunas, Kestutis [Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Rambla Sant Nebridi 22, Terrassa 08222 (Spain); Institució Catalana de Recerca i Estudis Avançats (ICREA), Pg. Lluís Companys 23, Barcelona 08010 (Spain)

    2015-03-15

    Photonic crystals are well known for their celebrated photonic band-gaps—the forbidden frequency ranges, for which the light waves cannot propagate through the structure. The frequency (or chromatic) band-gaps of photonic crystals can be utilized for frequency filtering. In analogy to the chromatic band-gaps and the frequency filtering, the angular band-gaps and the angular (spatial) filtering are also possible in photonic crystals. In this article, we review the recent advances of the spatial filtering using the photonic crystals in different propagation regimes and for different geometries. We review the most evident configuration of filtering in Bragg regime (with the back-reflection—i.e., in the configuration with band-gaps) as well as in Laue regime (with forward deflection—i.e., in the configuration without band-gaps). We explore the spatial filtering in crystals with different symmetries, including axisymmetric crystals; we discuss the role of chirping, i.e., the dependence of the longitudinal period along the structure. We also review the experimental techniques to fabricate the photonic crystals and numerical techniques to explore the spatial filtering. Finally, we discuss several implementations of such filters for intracavity spatial filtering.

  11. 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

  12. 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

  13. 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.

  14. Huge operation by energy gap of novel narrow band gap Tl1-x In1-x B x Se2 (B = Si, Ge): DFT, x-ray emission and photoconductivity studies

    Science.gov (United States)

    Piasecki, M.; Myronchuk, G. L.; Zamurueva, O. V.; Khyzhun, O. Y.; Parasyuk, O. V.; Fedorchuk, A. O.; Albassam, A.; El-Naggar, A. M.; Kityk, I. V.

    2016-02-01

    It is shown that narrow band gap semiconductors Tl1-x In1-x GexSe2 are able effectively to vary the values of the energy gap. DFT simulations of the principal bands during the cationic substitutions is done. Changes of carrier transport features is explored. Relation with the changes of the near the surface states is explored . Comparison on a common energy scale of the x-ray emission Se Kβ 2 bands, representing energy distribution of the Se 4p states, indicates that these states contribute preliminary to the top of the valence band. The temperature dependence of electrical conductivity and spectral dependence photoconductivity for the Tl1-x In1-x Ge x Se2 and Tl1-x In1-x Si x Se2 single crystals were explored and compared with previously reported Tl1-x In1-x Sn x Se2. Based on our investigations, a model of centre re-charging is proposed. Contrary to other investigated crystals in Tl1-x In1-x Ge x Se2 single crystals for x = 0.1 we observe extraordinarily enormous photoresponse, which exceed more than nine times the dark current. X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces of Tl1-x In1-x GexSe2 (x = 0.1 and 0.2) single crystals have been studied. These results indicate that the relatively low hygroscopicity of the studied single crystals is typical for the Tl1-x In1-x Ge x Se2 crystals, a property that is very important for handling these quaternary selenides as infrared materials operating at ambient conditions.

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. Band structure of one-dimensional doped photonic crystal with three level atoms using the Fresnel coefficients method

    Science.gov (United States)

    Jafari, A.; Rahmat, A.; Bakkeshizadeh, S.

    2018-01-01

    We consider a one-dimensional photonic crystal (1DPC) composed of double-layered dielectrics. Electric permittivity and magnetic permeability of this crystal depends on the incident electromagnetic wave frequency. We suppose that three level atoms have been added to the second layer of each dielectric and this photonic crystal (PC) has been doped. These atoms can be added to the layer with different rates. In this paper, we have calculated and compared the band structure of the mentioned PC considering the effect of added atoms to the second layer with different rates through the Fresnel coefficients method. We find out that according to the effective medium theory, the electric permittivity of the second layer changes. Also the band structure of PC for both TE and TM polarizations changes, too. The width of bandgaps related to “zero averaged refractive index” and “Bragg” increases. Moreover, new gap branches appear in new frequencies at both TE and TM polarizations. In specific state, two branches of “zero permittivity” gap appear in the PC band structure related to TM polarization. With increasing the amount of the filling rate of total volume with three level atoms, we observe a lot of changes in the PC band structure.

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

    Science.gov (United States)

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

    2018-01-01

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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  4. 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...

  5. 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.

  6. Investigation of the Band Structure of Graphene-Based Plasmonic Photonic Crystals.

    Science.gov (United States)

    Qiu, Pingping; Qiu, Weibin; Lin, Zhili; Chen, Houbo; Tang, Yixin; Wang, Jia-Xian; Kan, Qiang; Pan, Jiao-Qing

    2016-09-09

    In this paper, one-dimensional (1D) and two-dimensional (2D) graphene-based plasmonic photonic crystals (PhCs) are proposed. The band structures and density of states (DOS) have been numerically investigated. Photonic band gaps (PBGs) are found in both 1D and 2D PhCs. Meanwhile, graphene-based plasmonic PhC nanocavity with resonant frequency around 175 THz, is realized by introducing point defect, where the chemical potential is from 0.085 to 0.25 eV, in a 2D PhC. Also, the bending wvaguide and the beam splitter are realized by introducing the line defect into the 2D PhC.

  7. Waveguiding in supported phononic crystal plates

    International Nuclear Information System (INIS)

    Vasseur, J; Hladky-Hennion, A-C; Deymier, P; Djafari-Rouhani, B; Duval, F; Dubus, B; Pennec, Y

    2007-01-01

    We investigate, with the help of the finite element method, the existence of absolute band gaps in the band structure of a free-standing phononic crystal plate and of a phononic crystal slab deposited on a substrate. The two-dimensional phononic crystal is constituted by a square array of holes drilled in an active piezoelectric (PZT5A or AlN) matrix. For both matrix materials, an absolute band gap occurs in the band structure of the free-standing plate provided the thickness of the plate is on the order of magnitude of the lattice parameter. When the plate is deposited on a Si substrate, the absolute band gap still remains when the matrix of the phononic crystal is made of PZT5A. The AlN phononic crystal plate losses its gap when supported by the Si substrate. In the case of the PZT5A matrix, we also study the possibility of localized modes associated with a linear defect created by removing one row of air holes in the deposited phononic crystal plate

  8. 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

  9. Analysis of photonic band gaps in two-dimensional photonic crystals with rods covered by a thin interfacial layer

    International Nuclear Information System (INIS)

    Trifonov, T.; Marsal, L.F.; Pallares, J.; Rodriguez, A.; Alcubilla, R.

    2004-01-01

    We investigate different aspects of the absolute photonic band gap (PBG) formation in two-dimensional photonic structures consisting of rods covered with a thin dielectric film. Specifically, triangular and honeycomb lattices in both complementary arrangements, i.e., air rods drilled in silicon matrix and silicon rods in air, are studied. We consider that the rods are formed of a dielectric core (silicon or air) surrounded by a cladding layer of silicon dioxide (SiO 2 ), silicon nitride (Si 3 N 4 ), or germanium (Ge). Such photonic lattices present absolute photonic band gaps, and we study the evolution of these gaps as functions of the cladding material and thickness. Our results show that in the case of air rods in dielectric media the existence of dielectric cladding reduces the absolute gap width and may cause complete closure of the gap if thick layers are considered. For the case of dielectric rods in air, however, the existence of a cladding layer can be advantageous and larger absolute PBG's can be achieved

  10. 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

  11. 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.

  12. Crystal structure and energy band and optical properties of phosphate Sr3P4O13

    International Nuclear Information System (INIS)

    Zhang, Y.-C.; Cheng, W.-D.; Wu, D.-S.; Zhang, H.; Chen, D.-G.; Gong, Y.-J.; Kan, Z.-G.

    2004-01-01

    A single crystal of the compound Sr 3 P 4 O 13 has been found and the crystal structure has been characterized by means of single crystal X-ray diffraction analysis. The compound crystallizes in triclinic system and belongs to space group P1-bar. It builds up from SrO 7 polyhedra and P 4 O 13 -6 anions and has a layered structure, and the Sr atoms are located in the interlayer space. The absorption and luminescence spectrum of Sr 3 P 4 O 13 microcrystals have been measured. The calculated results of crystal energy band structure by the DFT show that the solid state of Sr 3 P 4 O 13 is an isolator with direct band gap. The calculated total and partial density of states indicate that the top valence bands are contributions from P 3p and O 2p states and low conduction bands mostly originate from Sr atomic states. The calculated optical response functions expect that the Sr 3 P 4 O 13 is a low refractive index, and it is possible that the Sr 3 P 4 O 13 is used to make transparent material between the UV and FR light zone

  13. 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

  14. 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

  15. Maximizing band gaps in plate structures

    DEFF Research Database (Denmark)

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

    2006-01-01

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

  16. 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.

  17. 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)

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

    International Nuclear Information System (INIS)

    Chen Xiaoan; Liu Gaofeng; Tang Changjian

    2010-01-01

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

  19. 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.

  20. 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.

  1. 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.

  2. Covalent bonding and band-gap formation in ternary transition-metal di-aluminides: Al4MnCo and related compounds

    International Nuclear Information System (INIS)

    Krajci, M.; Hafner, J.

    2002-01-01

    In this paper we extend our previous study of the electronic structure of and bonding mechanism in transition-metal (TM) di-aluminides to ternary systems. We have studied the character of the bonding in Al 4 MnCo and related TM di-aluminides in the C11 b (MoSi 2 ) and C54 (TiSi 2 ) crystal structures. A peculiar feature of the electronic structure of these TM di-aluminides is the existence of a semiconducting gap at the Fermi level. In our previous work we predicted a gap in Al 2 TM compounds where the TM atoms have eight valence electrons. Here we demonstrate that the semiconducting gap does not disappear if the TM sites are occupied by two different TMs, provided that the electron-per-atom ratio is conserved. Such a replacement substantially increases the class of possibly semiconducting TM di-aluminides. Substitution for 3d TMs of 4d or 5d TMs enhances the width of the gap. From the analysis of the charge density distribution and the crystal orbital overlap population, we conclude that the bonding between atoms has dominantly covalent character. This is confirmed not only by the enhanced charge density halfway between atoms, but also by the clear bonding-antibonding splitting of the electronic states. If the gaps between split states that correspond to all bonding configurations in the crystal have a common overlap at the Fermi level, the intermetallic compound becomes a semiconductor. However, the results of the total-energy calculations suggest that the existence of a band gap does not necessarily imply a stable structure. Strong covalent bonds can exist also in Al-TM structures where no band gap is observed. (author)

  3. 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 ...

  4. 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.

  5. 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}.

  6. Tunable all-angle negative refraction and photonic band gaps in two-dimensional plasma photonic crystals with square-like Archimedean lattices

    International Nuclear Information System (INIS)

    Zhang, Hai-Feng; Liu, Shao-Bin; Jiang, Yu-Chi

    2014-01-01

    In this paper, the tunable all-angle negative refraction and photonic band gaps (PBGs) in two types of two-dimensional (2D) plasma photonic crystals (PPCs) composed of homogeneous plasma and dielectric (GaAs) with square-like Archimedean lattices (ladybug and bathroom lattices) for TM wave are theoretically investigated based on a modified plane wave expansion method. The type-1 structure is dielectric rods immersed in the plasma background, and the complementary structure is named as type-2 PPCs. Theoretical simulations demonstrate that the both types of PPCs with square-like Archimedean lattices have some advantages in obtaining the higher cut-off frequency, the larger PBGs, more number of PBGs, and the relative bandwidths compared to the conventional square lattices as the filling factor or radius of inserted rods is same. The influences of plasma frequency and radius of inserted rod on the properties of PBGs for both types of PPCs also are discussed in detail. The calculated results show that PBGs can be manipulated by the parameters as mentioned above. The possibilities of all-angle negative refraction in such two types of PPCs at low bands also are discussed. Our calculations reveal that the all-angle negative phenomena can be observed in the first two TM bands, and the frequency range of all-angle negative refraction can be tuned by changing plasma frequency. Those properties can be used to design the optical switching and sensor

  7. Transport in bilayer and trilayer graphene: band gap engineering and band structure tuning

    Science.gov (United States)

    Zhu, Jun

    2014-03-01

    Controlling the stacking order of atomically thin 2D materials offers a powerful tool to control their properties. Linearly dispersed bands become hyperbolic in Bernal (AB) stacked bilayer graphene (BLG). Both Bernal (ABA) and rhombohedral (ABC) stacking occur in trilayer graphene (TLG), producing distinct band structures and electronic properties. A symmetry-breaking electric field perpendicular to the sample plane can further modify the band structures of BLG and TLG. In this talk, I will describe our experimental effort in these directions using dual-gated devices. Using thin HfO2 film deposited by ALD as gate dielectric, we are able to apply large displacement fields D > 6 V/nm and observe the opening and saturation of the field-induced band gap Eg in bilayer and ABC-stacked trilayer graphene, where the conduction in the mid gap changes by more than six decades. Its field and temperature dependence highlights the crucial role played by Coulomb disorder in facilitating hopping conduction and suppressing the effect of Eg in the tens of meV regime. In contrast, mid-gap conduction decreases with increasing D much more rapidly in clean h-BN dual-gated devices. Our studies also show the evolution of the band structure in ABA-stacked TLG, in particular the splitting of the Dirac-like bands in large D field and the signatures of two-band transport at high carrier densities. Comparison to theory reveals the need for more sophisticated treatment of electronic screening beyond self-consistent Hartree calculations to accurately predict the band structures of trilayer graphene and graphenic materials in general.

  8. 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...

  9. 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...

  10. 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.

  11. 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....

  12. 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.

  13. 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.

  14. 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.

  15. On the nature and temperature dependence of the fundamental band gap of In{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Irmscher, K.; Naumann, M.; Pietsch, M.; Galazka, Z.; Uecker, R.; Schulz, T.; Schewski, R.; Albrecht, M.; Fornari, R. [Leibniz-Institut fuer Kristallzuechtung, Berlin (Germany)

    2014-01-15

    The onset of optical absorption in In{sub 2}O{sub 3} at about 2.7 eV is investigated by transmission spectroscopy of single crystals grown from the melt. This absorption is not defect related but is due to the fundamental band gap of In{sub 2}O{sub 3}. The corresponding spectral dependence of the absorption coefficient is determined up to α = 2500 cm{sup -1} at a photon energy hν = 3.05 eV at room temperature without indication of saturation. A detailed analysis of the hν dependence of α including low-temperature absorption data shows that the absorption process can be well approximated by indirect allowed transitions. It is suggested that the fundamental band gap of In{sub 2}O{sub 3} is of indirect nature. The temperature dependence of the fundamental band gap is measured over a wide range from 9 to 1273 K and can be well fitted by a single-oscillator model. Compared to other semiconductors the reduction of the gap with increasing temperature is exceptionally strong in In{sub 2}O{sub 3}. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Multiple superconducting gaps in MgB2 single crystals from magnetic torque

    International Nuclear Information System (INIS)

    Atsumi, Toshiyuki; Xu, Mingxiang; Kitazawa, Hideaki; Ishida, Takekazu

    2004-01-01

    We have measured the magnetic torque of an MgB 2 single crystal in the various different fields below 10 kG by using a torque magnetometer and a 4 K closed cycle refrigerator. The MgB 2 single crystal was synthesized by the vapor transport method. The torque can be measured as an off-balance signal of the Wheatstone bridge of the four piezoresistors on a Si cantilever. The torque curves are analyzed by the Kogan model. The superconducting anisotropy γ is rather independent of temperature in 5 and 10 kG, but is dependent on field up to 60 kG. We consider that the field dependence of γ comes from the nature of the multiple superconducting gaps. The experimental results show that the π-band superconducting gaps have been deteriorated gradually up to a crossover field H * (π) ∼ 20 kG at 10 K when the magnetic field increases

  17. 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

  18. 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.

  19. Nonlinear Bloch waves in metallic photonic band-gap filaments

    International Nuclear Information System (INIS)

    Kaso, Artan; John, Sajeev

    2007-01-01

    We demonstrate the occurrence of nonlinear Bloch waves in metallic photonic crystals (PCs). These periodically structured filaments are characterized by an isolated optical pass band below an effective plasma gap. The pass band occurs in a frequency range where the metallic filament exhibits a negative, frequency-dependent dielectric function and absorption loss. The metallic losses are counterbalanced by gain in two models of inhomogeneously broadened nonlinear oscillators. In the first model, we consider close-packed quantum dots that fill the void regions of a two-dimensional (2D) metallic PC, and whose inhomogeneously broadened emission spectrum spans the original optical pass band of the bare filament. In the second model, we consider thin (10-50 nm) layers of inhomogeneously broadened two-level resonators, with large dipole oscillator strength, that cover the interior surfaces of 2D metallic (silver and tungsten) PCs. These may arise from localized surface plasmon resonances due to small metal particles or an otherwise rough metal surface. For simplicity, we treat electromagnetic modes with electric field perpendicular to the plane of metal periodicity. In both models, a pumping threshold of the resonators is found, above which periodic nonlinear solutions of Maxwell's equations with purely real frequency within the optical pass band emerge. These nonlinear Bloch waves exhibit a laserlike input pumping to output amplitude characteristic. For strong surface resonances, these nonlinear waves may play a role in light emission from a hot tungsten (suitably microstructured) filament

  20. Nonlinear Bloch waves in metallic photonic band-gap filaments

    Science.gov (United States)

    Kaso, Artan; John, Sajeev

    2007-11-01

    We demonstrate the occurrence of nonlinear Bloch waves in metallic photonic crystals (PCs). These periodically structured filaments are characterized by an isolated optical pass band below an effective plasma gap. The pass band occurs in a frequency range where the metallic filament exhibits a negative, frequency-dependent dielectric function and absorption loss. The metallic losses are counterbalanced by gain in two models of inhomogeneously broadened nonlinear oscillators. In the first model, we consider close-packed quantum dots that fill the void regions of a two-dimensional (2D) metallic PC, and whose inhomogeneously broadened emission spectrum spans the original optical pass band of the bare filament. In the second model, we consider thin (10 50 nm) layers of inhomogeneously broadened two-level resonators, with large dipole oscillator strength, that cover the interior surfaces of 2D metallic (silver and tungsten) PCs. These may arise from localized surface plasmon resonances due to small metal particles or an otherwise rough metal surface. For simplicity, we treat electromagnetic modes with electric field perpendicular to the plane of metal periodicity. In both models, a pumping threshold of the resonators is found, above which periodic nonlinear solutions of Maxwell’s equations with purely real frequency within the optical pass band emerge. These nonlinear Bloch waves exhibit a laserlike input pumping to output amplitude characteristic. For strong surface resonances, these nonlinear waves may play a role in light emission from a hot tungsten (suitably microstructured) filament.

  1. Estimation of Bi induced changes in the direct E{sub 0} band gap of III–V-Bi alloys and comparison with experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Samajdar, D.P., E-mail: dipprakash010@gmail.com; Dhar, S.

    2016-03-01

    Quantum dielectric Theory (QDT) is used to explain the band gap bowing effect observed in III–V-Bismides such as InSb{sub 1−x}Bi{sub x}, InAs{sub 1−x}Bi{sub x}, InP{sub 1−x}Bi{sub x}, GaSb{sub 1−x}Bi{sub x}, GaAs{sub 1−x}Bi{sub x} and GaP{sub 1−x}Bi{sub x.} The dependence of the direct E{sub 0} band gap for these alloys on Bi mole fraction is calculated using QDT which requires the evaluation of the bowing parameter c. The bowing parameter gives the deviation of the direct E{sub 0} band gap from the linear relationship of E{sub 0} with Bi mole fraction. The band gap reduction values obtained using QDT are compared with those calculated using Virtual Crystal approximation (VCA) and Valence Band Anticrossing (VBAC) model as well as with the reported experimental data and the results of the comparison shows excellent agreement.

  2. 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.

  3. 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.

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

    DEFF Research Database (Denmark)

    Sigmund, Ole; Jensen, Jakob Søndergaard

    2003-01-01

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

  5. Band gap evaluations of metal-inserted titania nanomaterials

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  6. 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...

  7. 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

  8. Nonreciprocity of spin waves in metallized magnonic crystal

    International Nuclear Information System (INIS)

    Mruczkiewicz, M; Krawczyk, M; Gubbiotti, G; Tacchi, S; Filimonov, Yu A; Kalyabin, D V; Lisenkov, I V; Nikitov, S A

    2013-01-01

    The nonreciprocal properties of spin waves in metallized one-dimensional bi-component magnonic crystal composed of two materials with different magnetizations are investigated numerically. Nonreciprocity leads to the appearance of indirect magnonic band gaps for magnonic crystals with both low and high magnetization contrast. Specific features of the nonreciprocity in low contrast magnonic crystals lead to the appearance of several magnonic band gaps located within the first Brillouin zone for waves propagating along the metallized surface. Analysis of the spatial distribution of dynamic magnetization amplitudes explains the mechanism of dispersion band formation and hybridization between magnonic bands in magnonic crystals with metallization. (paper)

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

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

    Science.gov (United States)

    Warmuth, Franziska; Körner, Carolin

    2015-12-02

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

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

    KAUST Repository

    Vidal Faez, Angelo

    2012-07-01

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

  16. Electrothermally Driven Fluorescence Switching by Liquid Crystal Elastomers Based On Dimensional Photonic Crystals.

    Science.gov (United States)

    Lin, Changxu; Jiang, Yin; Tao, Cheng-An; Yin, Xianpeng; Lan, Yue; Wang, Chen; Wang, Shiqiang; Liu, Xiangyang; Li, Guangtao

    2017-04-05

    In this article, the fabrication of an active organic-inorganic one-dimensional photonic crystal structure to offer electrothermal fluorescence switching is described. The film is obtained by spin-coating of liquid crystal elastomers (LCEs) and TiO 2 nanoparticles alternatively. By utilizing the property of LCEs that can change their size and shape reversibly under external thermal stimulations, the λ max of the photonic band gap of these films is tuned by voltage through electrothermal conversion. The shifted photonic band gap further changes the matching degree between the photonic band gap of the film and the emission spectrum of organic dye mounting on the film. With rhodamine B as an example, the enhancement factor of its fluorescence emission is controlled by varying the matching degree. Thus, the fluorescence intensity is actively switched by voltage applied on the system, in a fast, adjustable, and reversible manner. The control chain of using the electrothermal stimulus to adjust fluorescence intensity via controlling the photonic band gap is proved by a scanning electron microscope (SEM) and UV-vis reflectance. This mechanism also corresponded to the results from the finite-difference time-domain (FDTD) simulation. The comprehensive usage of photonic crystals and liquid crystal elastomers opened a new possibility for active optical devices.

  17. Complete flexural vibration band gaps in membrane-like lattice structures

    International Nuclear Information System (INIS)

    Yu Dianlong; Liu Yaozong; Qiu Jing; Wang Gang; Zhao Honggang

    2006-01-01

    The propagation of flexural vibration in the periodical membrane-like lattice structure is studied. The band structure calculated with the plane wave expansion method indicates the existence of complete gaps. The frequency response function of a finite periodic structure is simulated with finite element method. Frequency ranges with vibration attenuation are in good agreement with the gaps found in the band structure. Much larger attenuations are found in the complete gaps comparing to those directional ones. The existence of complete flexural vibration gaps in such a lattice structure provides a new idea for vibration control of thin plates

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. Tunable photonic crystals with partial bandgaps from blue phase colloidal crystals and dielectric-doped blue phases.

    Science.gov (United States)

    Stimulak, Mitja; Ravnik, Miha

    2014-09-07

    Blue phase colloidal crystals and dielectric nanoparticle/polymer doped blue phases are demonstrated to combine multiple components with different symmetries in one photonic material, creating a photonic crystal with variable and micro-controllable photonic band structure. In this composite photonic material, one contribution to the band structure is determined by the 3D periodic birefringent orientational profile of the blue phases, whereas the second contribution emerges from the regular array of the colloidal particles or from the dielectric/nanoparticle-doped defect network. Using the planewave expansion method, optical photonic bands of the blue phase I and II colloidal crystals and related nanoparticle/polymer doped blue phases are calculated, and then compared to blue phases with no particles and to face-centred-cubic and body-centred-cubic colloidal crystals in isotropic background. We find opening of local band gaps at particular points of Brillouin zone for blue phase colloidal crystals, where there were none in blue phases without particles or dopants. Particle size and filling fraction of the blue phase defect network are demonstrated as parameters that can directly tune the optical bands and local band gaps. In the blue phase I colloidal crystal with an additionally doped defect network, interestingly, we find an indirect total band gap (with the exception of one point) at the entire edge of SC irreducible zone. Finally, this work demonstrates the role of combining multiple - by symmetry - differently organised components in one photonic crystal material, which offers a novel approach towards tunable soft matter photonic materials.

  4. Near-Band-Edge Optical Responses of CH3NH3PbCl3 Single Crystals: Photon Recycling of Excitonic Luminescence

    Science.gov (United States)

    Yamada, Takumi; Aharen, Tomoko; Kanemitsu, Yoshihiko

    2018-02-01

    The determination of the band gap and exciton energies of lead halide perovskites is very important from the viewpoint of fundamental physics and photonic device applications. By using photoluminescence excitation (PLE) spectra, we reveal the optical properties of CH3NH3PbCl3 single crystals in the near-band-edge energy regime. The one-photon PLE spectrum exhibits the 1 s exciton peak at 3.11 eV. On the contrary, the two-photon PLE spectrum exhibits no peak structure. This indicates photon recycling of excitonic luminescence. By analyzing the spatial distribution of the excitons and photon recycling, we obtain 3.15 eV for the band gap energy and 41 meV for the exciton binding energy.

  5. From Ba3Ta5O14N to LaBa2Ta5O13N2: Decreasing the optical band gap of a photocatalyst

    International Nuclear Information System (INIS)

    Anke, B.; Bredow, T.; Pilarski, M.; Wark, M.; Lerch, M.

    2017-01-01

    Yellow LaBa 2 Ta 5 O 13 N 2 was successfully synthesized as phase-pure material crystallizing isostructurally to previously reported Ba 3 Ta 5 O 14 N and mixed-valence Ba 3 Ta V 4 Ta IV O 15 . The electronic structure of LaBa 2 Ta 5 O 13 N 2 was studied theoretically with the range-separated hybrid method HSE06. The most stable structure was obtained when lanthanum was placed on 2a and nitrogen on 4h sites confirming Pauling's second rule. By incorporating nitrogen, the measured band gap decreases from ∼3.8 eV for the oxide via 2.74 eV for Ba 3 Ta 5 O 14 N to 2.63 eV for the new oxide nitride, giving rise to an absorption band well in the visible-light region. Calculated fundamental band gaps confirm the experimental trend. The atom-projected density of states has large contributions from N2p orbitals close to the valence band edge. These are responsible for the observed band gap reduction. Photocatalytic hydrogen formation was investigated and compared with that of Ba 3 Ta 5 O 14 N revealing significantly higher activity for LaBa 2 Ta 5 O 13 N 2 under UV-light. - Graphical abstract: X-ray powder diffraction pattern of LaBa 2 Ta 5 O 13 N 2 with the results of the Rietveld refinements. Inset: Unit cell of LaBa 2 Ta 5 O 13 N 2 and polyhedral representation of the crystal structure. - Highlights: • Synthesis of a new oxide nitride LaBa 2 Ta 5 O 13 N 2 . • Refinement of the crystal structure. • Quantum chemical calculations provided band gap close to the measured value. • New phase shows a higher photocatalytic H 2 evolution rate compared to prior tested Ba 3 Ta 5 O 14 N.

  6. 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.

  7. Determination of the optical band gap for amorphous and nanocrystalline copper oxide thin films prepared by SILAR technique

    International Nuclear Information System (INIS)

    Abdel Rafea, M; Roushdy, N

    2009-01-01

    Amorphous copper oxide films were deposited using the SILAR technique. Both Cu 2 O and CuO crystallographic phases exist in deposited and annealed films. Crystallization and growth processes by annealing at temperatures up to 823 K form grains with nano- and micro-spherical shapes. The calculated crystallite size from the XRD measurement was found to be in the range 14-21 nm while nano-spheres in the diameter range 50-100 nm were observed by SEM micrographs. The band gap for amorphous film was found to be 2.3 eV which increased slowly to 2.4 eV by annealing the film at 373 K. This was explained by defect redistribution in amorphous films. Annealing in the temperature range 373-673 K decreased the band gap gradually to 1.85 eV. The decrease of the band gap with annealing temperature in the range 373-673 K agrees well with the Brus model of the energy gap confinement effect in nanostructured semiconducting materials. Annealing in the temperature range 673-823 K decreases the band gap slowly to 1.7 eV due to the smaller contribution of the confinement effect. Below 573 K, Cu 2 O is the most probable crystalline phase in the film, while Cu 2 O and CuO crystalline phases may coexist at annealing temperatures above 573 K due to further oxidation of Cu 2 O. A wider transmittance spectral window in the visible region was obtained by controlling the annealing conditions of the amorphous copper oxide film and its applicability to the window layer of solar cell was suggested.

  8. Complete photonic band gaps and tunable self-collimation in the two-dimensional plasma photonic crystals with a new structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hai-Feng, E-mail: hanlor@163.com [Key Laboratory of Radar Imaging and Microwave Photonics (Nanjing University of Aeronautics and Astronautics), Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Nanjing Artillery Academy, Nanjing 211132 (China); Ding, Guo-Wen; Li, Hai-Ming; Liu, Shao-Bin [Key Laboratory of Radar Imaging and Microwave Photonics (Nanjing University of Aeronautics and Astronautics), Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2015-02-15

    In this paper, the properties of complete photonic band gaps (CPBGs) and tunable self-collimation in two-dimensional plasma photonic crystals (2D PPCs) with a new structure in square lattices, whose dielectric fillers (GaAs) are inserted into homogeneous and nomagnetized plasma background are theoretically investigated by a modified plane wave expansion (PWE) method with a novel technique. The novel PWE method can be utilized to compute the dispersion curves of 2D PPCs with arbitrary-shaped cross section in any lattices. As a comparison, CPBGs of PPCs for four different configurations are numerically calculated. The computed results show that the proposed design has the advantages of achieving the larger CPBGs compared to the other three configurations. The influences of geometric parameters of filled unit cell and plasma frequency on the properties of CPBGs are studied in detail. The calculated results demonstrate that CPBGs of the proposed 2D PPCs can be easily engineered by changing those parameters, and the larger CPBGs also can be obtained by optimization. The self-collimation in such 2D PPCs also is discussed in theory under TM wave. The theoretical simulations reveal that the self-collimation phenomena can be found in the TM bands, and both the frequency range of self-collimation and the equifrequency surface contours can be tuned by the parameters as mentioned above. It means that the frequency range and direction of electromagnetic wave can be manipulated by designing, as it propagates in the proposed PPCs without diffraction. Those results can hold promise for designing the tunable applications based on the proposed PPCs.

  9. Complete photonic band gaps and tunable self-collimation in the two-dimensional plasma photonic crystals with a new structure

    International Nuclear Information System (INIS)

    Zhang, Hai-Feng; Ding, Guo-Wen; Li, Hai-Ming; Liu, Shao-Bin

    2015-01-01

    In this paper, the properties of complete photonic band gaps (CPBGs) and tunable self-collimation in two-dimensional plasma photonic crystals (2D PPCs) with a new structure in square lattices, whose dielectric fillers (GaAs) are inserted into homogeneous and nomagnetized plasma background are theoretically investigated by a modified plane wave expansion (PWE) method with a novel technique. The novel PWE method can be utilized to compute the dispersion curves of 2D PPCs with arbitrary-shaped cross section in any lattices. As a comparison, CPBGs of PPCs for four different configurations are numerically calculated. The computed results show that the proposed design has the advantages of achieving the larger CPBGs compared to the other three configurations. The influences of geometric parameters of filled unit cell and plasma frequency on the properties of CPBGs are studied in detail. The calculated results demonstrate that CPBGs of the proposed 2D PPCs can be easily engineered by changing those parameters, and the larger CPBGs also can be obtained by optimization. The self-collimation in such 2D PPCs also is discussed in theory under TM wave. The theoretical simulations reveal that the self-collimation phenomena can be found in the TM bands, and both the frequency range of self-collimation and the equifrequency surface contours can be tuned by the parameters as mentioned above. It means that the frequency range and direction of electromagnetic wave can be manipulated by designing, as it propagates in the proposed PPCs without diffraction. Those results can hold promise for designing the tunable applications based on the proposed PPCs

  10. 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

  11. Impact ionisation rate calculations in wide band gap semiconductors

    International Nuclear Information System (INIS)

    Harrison, D.

    1998-09-01

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

  12. 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

  13. 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.

  14. 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...

  15. 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.

  16. Phononic band gap and mechanical anisotropy in spider silk

    Science.gov (United States)

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

    2010-03-01

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

  17. 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...

  18. 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.

  19. 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.

  20. 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...

  1. 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.

  2. Dynamical electron-phonon coupling, G W self-consistency, and vertex effect on the electronic band gap of ice and liquid water

    Science.gov (United States)

    Ziaei, Vafa; Bredow, Thomas

    2017-06-01

    We study the impact of dynamical electron-phonon (el-ph) effects on the electronic band gap of ice and liquid water by accounting for frequency-dependent Fan contributions in the el-ph mediated self-energy within the many-body perturbation theory (MBPT). We find that the dynamical el-ph coupling effects greatly reduce the static el-ph band-gap correction of the hydrogen-rich molecular ice crystal from-2.46 to -0.23 eV in great contrast to the result of Monserrat et al. [Phys. Rev. B 92, 140302 (2015), 10.1103/PhysRevB.92.140302]. This is of particular importance as otherwise the static el-ph gap correction would considerably reduce the electronic band gap, leading to considerable underestimation of the intense peaks of optical absorption spectra of ice which would be in great disagreement to experimental references. By contrast, the static el-ph gap correction of liquid water is very moderate (-0.32 eV), and inclusion of dynamical effects slightly reduces the gap correction to -0.19 eV. Further, we determine the diverse sensitivity of ice and liquid water to the G W self-consistency and show that the energy-only self-consistent approach (GnWn ) exhibits large implicit vertex character in comparison to the quasiparticle self-consistent approach, for which an explicit calculation of vertex corrections is necessary for good agreement with experiment.

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

    International Nuclear Information System (INIS)

    Wang Yi-Ze; Li Feng-Ming

    2012-01-01

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

  4. 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

  5. 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.

  6. Band structure of semiconductor compounds of Mg sub 2 Si and Mg sub 2 Ge with strained crystal lattice

    CERN Document Server

    Krivosheeva, A V; Shaposhnikov, V L; Krivosheev, A E; Borisenko, V E

    2002-01-01

    The effect of isotopic and unaxial deformation of the crystal lattice on the electronic band structure of indirect band gap semiconductors Mg sub 2 Si and Mg sub 2 Ge has been simulated by means of the linear augmented plane wave method. The reduction of the lattice constant down to 95 % results in a linear increase of the direct transition in magnesium silicide by 48%. The stresses arising under unaxial deformation shift the bands as well as result in splitting of degenerated states. The dependence of the interband transitions on the lattice deformation is nonlinear in this case

  7. 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.

  8. Magnon band structure and magnon density in one-dimensional magnonic crystals

    International Nuclear Information System (INIS)

    Qiu, Rong-ke; Huang, Te; Zhang, Zhi-dong

    2014-01-01

    By using Callen's Green's function method and the Tyablikov and Anderson–Callen decoupling approximations, we systematically study the magnon band structure and magnon density perpendicular to the superlattice plane of one-dimensional magnonic crystals, with a superlattice consisting of two magnetic layers with ferromagnetic (FM) or antiferromagnetic (AFM) interlayer exchange coupling. The effects of temperature, interlayer coupling, anisotropy and external magnetic field on the magnon-energy band and magnon density in the K x -direction are investigated in three situations: a) the magnon band of magnetic superlattices with FM interlayer coupling, b) separate and c) overlapping magnon bands of magnetic superlattices with AFM interlayer coupling. In the present work, a quantum approach is developed to study the magnon band structure and magnon density of magnonic crystals and the results are beneficial for the design of magnonic-crystal waveguides or gigahertz-range spin-wave filters. - Highlights: • A quantum approach has been developed to study the magnon band of magnonic crystals. • The separate and overlapping magnon bands of magnetic superlattices are investigated. • The results are beneficial for the design of gigahertz-range spin-wave filters

  9. Magnon band structure and magnon density in one-dimensional magnonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Rong-ke, E-mail: rkqiu@163.com [Shenyang University of Technology, Shenyang 110870 (China); Huang, Te [Shenyang University of Technology, Shenyang 110870 (China); Zhang, Zhi-dong [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

    2014-11-15

    By using Callen's Green's function method and the Tyablikov and Anderson–Callen decoupling approximations, we systematically study the magnon band structure and magnon density perpendicular to the superlattice plane of one-dimensional magnonic crystals, with a superlattice consisting of two magnetic layers with ferromagnetic (FM) or antiferromagnetic (AFM) interlayer exchange coupling. The effects of temperature, interlayer coupling, anisotropy and external magnetic field on the magnon-energy band and magnon density in the K{sub x}-direction are investigated in three situations: a) the magnon band of magnetic superlattices with FM interlayer coupling, b) separate and c) overlapping magnon bands of magnetic superlattices with AFM interlayer coupling. In the present work, a quantum approach is developed to study the magnon band structure and magnon density of magnonic crystals and the results are beneficial for the design of magnonic-crystal waveguides or gigahertz-range spin-wave filters. - Highlights: • A quantum approach has been developed to study the magnon band of magnonic crystals. • The separate and overlapping magnon bands of magnetic superlattices are investigated. • The results are beneficial for the design of gigahertz-range spin-wave filters.

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

    Directory of Open Access Journals (Sweden)

    Jiulong Jiang

    2016-11-01

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

  11. Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

    International Nuclear Information System (INIS)

    Chun-Ying, Guan; Jin-Hui, Shi; Li-Boo, Yuan

    2008-01-01

    A polarizing beam splitter (PBS) and a non-polarizing beam splitter (NPBS) based on a photonic crystal (PC) directional coupler are demonstrated. The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap. The photonic band structure and the band gap map are calculated using the plane wave expansion (PWE) method. The splitting properties of the splitter are investigated numerically using the finite difference time domain (FDTD) method

  12. 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

  13. TlHgInS 3 : An Indirect-Band-Gap Semiconductor with X-ray Photoconductivity Response

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hao; Malliakas, Christos D.; Han, Fei; Chung, Duck Young; Kanatzidis, Mercouri G.

    2015-08-11

    The quaternary compound TlHgInS3 crystallizes in a new structure type of space group, C2/c, with cell parameters a = 13.916(3) angstrom, b = 3.9132(8) angstrom, c = 21.403(4) angstrom, beta = 104.16(3)degrees, V = 1130.1(8) angstrom(3), and rho = 7.241 g/cm(3). The structure is a unique three-dimensional framework with parallel tunnels, which is formed by (1)(infinity)[InS33-] infinite chains bridged by linearly coordinated Hg2+ ions. TlHgInS3 is a semiconductor with a band gap of 1.74 eV and a resistivity of similar to 4.32 G Omega cm. TlHgInS3 single crystals exhibit photocurrent response when exposed to Ag X-rays. The mobility-lifetime product (mu tau) of the electrons and holes estimated from the photocurrent measurements are (mu tau)(e) approximate to 3.6 x 10(-4) cm(2)/V and (mu tau)(h) approximate to 2.0 x 10(-4) cm(2)/V. Electronic structure calculations at the density functional theory level indicate an indirect band gap and a relatively small effective mass for both electrons and holes. Based on the photoconductivity data, TlHgInS3 is a potential material for radiation detection applications.

  14. Energy bands and gaps near an impurity

    Czech Academy of Sciences Publication Activity Database

    Mihóková, Eva; Schulman, L. S.

    2016-01-01

    Roč. 380, č. 41 (2016), s. 3430-3433 ISSN 0375-9601 R&D Projects: GA ČR GA13-09876S Institutional support: RVO:68378271 Keywords : crystal structure * impurity * modeling * energy bands Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.772, year: 2016

  15. A versatile optical junction using photonic band-gap guidance and self collimation

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Man Mohan; Medhekar, Sarang, E-mail: smedhekarbit@gmail.com [Centre for Applied Physics, Central University of Jharkhand, Ranchi 835205 (India)

    2014-09-29

    We show that it is possible to design two photonic crystal (PC) structures such that an optical beam of desired wavelength gets guided within the line defect of the first structure (photonic band gap guidance) and the same beam gets guided in the second structure by self-collimation. Using two dimensional simulation of a design made of the combination of these two structures, we propose an optical junction that allows for crossing of two optical signals of same wavelength and same polarization with very low crosstalk. Moreover, the junction can be operated at number of frequencies in a wide range. Crossing of multiple beams with very low cross talk is also possible. The proposed junction should be important in future integrated photonic circuits.

  16. 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.

  17. 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)

  18. 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.

  19. 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).

  20. FDTD method for computing the off-plane band structure in a two-dimensional photonic crystal consisting of nearly free-electron metals

    Energy Technology Data Exchange (ETDEWEB)

    Xiao Sanshui; He Sailing

    2002-12-01

    An FDTD numerical method for computing the off-plane band structure of a two-dimensional photonic crystal consisting of nearly free-electron metals is presented. The method requires only a two-dimensional discretization mesh for a given off-plane wave number k{sub z} although the off-plane propagation is a three-dimensional problem. The off-plane band structures of a square lattice of metallic rods with the high-frequency metallic model in the air are studied, and a complete band gap for some nonzero off-plane wave number k{sub z} is founded.

  1. FDTD method for computing the off-plane band structure in a two-dimensional photonic crystal consisting of nearly free-electron metals

    International Nuclear Information System (INIS)

    Xiao Sanshui; He Sailing

    2002-01-01

    An FDTD numerical method for computing the off-plane band structure of a two-dimensional photonic crystal consisting of nearly free-electron metals is presented. The method requires only a two-dimensional discretization mesh for a given off-plane wave number k z although the off-plane propagation is a three-dimensional problem. The off-plane band structures of a square lattice of metallic rods with the high-frequency metallic model in the air are studied, and a complete band gap for some nonzero off-plane wave number k z is founded

  2. Phononic band gap structures as optimal designs

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole

    2003-01-01

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

  3. 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.

  4. 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

  5. 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.

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  7. 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

  8. 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...

  9. Band gap determination of Ni–Zn ferrites

    Indian Academy of Sciences (India)

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

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

    Science.gov (United States)

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

    2017-10-01

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

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

    DEFF Research Database (Denmark)

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

    2015-01-01

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

  12. 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.

  13. Two-dimensional plasma photonic crystals in dielectric barrier discharge

    International Nuclear Information System (INIS)

    Fan Weili; Dong Lifang; Zhang Xinchun

    2010-01-01

    A series of two-dimensional plasma photonic crystals have been obtained by filaments' self-organization in atmospheric dielectric barrier discharge with two water electrodes, which undergo the transition from square to square superlattice and finally to the hexagon. The spatio-temporal behaviors of the plasma photonic crystals in nanosecond scale have been studied by optical method, which show that the plasma photonic crystal is actually an integration of different transient sublattices. The photonic band diagrams of the transverse electric (TE) mode and transverse magnetic mode for each sublattice of these plasma photonic crystals have been investigated theoretically. A wide complete band gap is formed in the hexagonal plasma photonic crystal with the TE mode. The changes of the band edge frequencies and the band gap widths in the evolvement of different structures are studied. A kind of tunable plasma photonic crystal which can be controlled both in space and time is suggested.

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

    OpenAIRE

    Siedentop, Lukas

    2016-01-01

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

  15. 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

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

    Directory of Open Access Journals (Sweden)

    Yijie Zeng

    2014-10-01

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

  17. Phononic crystals with one-dimensional defect as sensor materials

    Science.gov (United States)

    Aly, Arafa H.; Mehaney, Ahmed

    2017-09-01

    Recently, sensor technology has attracted great attention in many fields due to its importance in many engineering applications. In the present work, we introduce a study using the innovative properties of phononic crystals in enhancing a new type of sensors based on the intensity of transmitted frequencies inside the phononic band gaps. Based on the transfer matrix method and Bloch theory, the expressions of the reflection coefficient and dispersion relation are presented. Firstly, the influences of filling fraction ratio and the angle of incidence on the band gap width are discussed. Secondly, the localization of waves inside band gaps is discussed by enhancing the properties of the defected phononic crystal. Compared to the periodic structure, localization modes involved within the band structure of phononic crystals with one and two defect layers are presented and compared. Trapped localized modes can be detected easily and provide more information about defected structures. Such method could increase the knowledge of manufacturing defects by measuring the intensity of propagated waves in the resonant cavities and waveguides. Moreover, several factors enhance the role of the defect layer on the transmission properties of defected phononic crystals are presented. The acoustic band gap can be used to detect or sense the type of liquids filling the defect layer. The liquids make specific resonant modes through the phononic band gaps that related to the properties of each liquid. The frequency where the maximum resonant modes occur is correlated to material properties and allows to determine several parameters such as the type of an unknown material.

  18. Photoluminescence properties of boron doped InSe single crystals

    International Nuclear Information System (INIS)

    Ertap, H.; Bacıoğlu, A.; Karabulut, M.

    2015-01-01

    Undoped and boron doped InSe single crystals were grown by Bridgman–Stockbarger technique. The PL properties of undoped, 0.1% and 0.5% boron doped InSe single crystals have been investigated at different temperatures. PL measurements revealed four emission bands labeled as A, B, C and D in all the single crystals studied. These emission bands were associated with the radiative recombination of direct free excitons (n=1), impurity-band transitions, donor–acceptor recombinations and structural defect related band (impurity atoms, defects, defect complexes, impurity-vacancy complex etc.), respectively. The direct free exciton (A) bands of undoped, 0.1% and 0.5% boron doped InSe single crystals were observed at 1.337 eV, 1.335 eV and 1.330 eV in the PL spectra measured at 12 K, respectively. Energy positions and PL intensities of the emission bands varied with boron addition. The FWHM of direct free exciton band increases while the FWHM of the D emission band decreases with boron doping. Band gap energies of undoped and boron doped InSe single crystals were calculated from the PL measurements. It was found that the band gap energies of InSe single crystals decreased with increasing boron content. - Highlights: • PL spectra of InSe crystals have been studied as a function of temperature. • Four emission bands were observed in the PL spectra at low temperatures. • PL intensity and position of free exciton band vary with doping and temperature. • Temperature dependences of the bands observed in the PL spectra were analyzed

  19. 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.

  20. Analysis of photonic band gap in dispersive properties of tunable three-dimensional photonic crystals doped by magnetized plasma

    International Nuclear Information System (INIS)

    Zhang HaiFeng; Liu Shaobin; Yang Huan; Kong Xiangkun

    2013-01-01

    In this paper, the magnetooptical effects in dispersive properties for two types of three-dimensional magnetized plasma photonic crystals (MPPCs) containing homogeneous dielectric and magnetized plasma with diamond lattices are theoretically investigated for electromagnetic (EM) wave based on plane wave expansion (PWE) method, as incidence EM wave vector is parallel to the external magnetic field. The equations for two types of MPPCs with diamond lattices (dielectric spheres immersed in magnetized plasma background or vice versa) are theoretically deduced. The influences of dielectric constant, plasma collision frequency, filling factor, the external magnetic field, and plasma frequency on the dispersive properties for both types of structures are studied in detail, respectively, and some corresponding physical explanations are also given. From the numerical results, it has been shown that the photonic band gaps (PBGs) for both types of MPPCs can be manipulated by plasma frequency, filling factor, the external magnetic field, and the relative dielectric constant of dielectric, respectively. Especially, the external magnetic field can enlarge the PBG for type-2 structure (plasma spheres immersed in dielectric background). However, the plasma collision frequency has no effect on the dispersive properties of two types of three-dimensional MPPCs. The locations of flatbands regions for both types of structures cannot be tuned by any parameters except for plasma frequency and the external magnetic field. The analytical results may be informative and of technical use to design the MPPCs devices.

  1. Junction-type photonic crystal waveguides for notch- and pass-band filtering

    KAUST Repository

    Shahid, Naeem

    2011-01-01

    Evolution of the mode gap and the associated transmission mini stop-band (MSB) as a function of photonic crystal (PhC) waveguide width is theoretically and experimentally investigated. The change of line-defect width is identified to be the most appropriate way since it offers a wide MSB wavelength tuning range. A high transmission narrow-band filter is experimentally demonstrated in a junction-type waveguide composed of two PhC waveguides with slightly different widths. The full width at half maximum is 5.6 nm; the peak transmission is attenuated by only ∼5 dB and is ∼20 dB above the MSBs. Additionally, temperature tuning of the filter were also performed. The results show red-shift of the transmission peak and the MSB edges with a gradient of dλ/dT = 0.1 nm/°C. It is proposed that the transmission MSBs in such junction-type cascaded PhC waveguides can be used to obtain different types of filters. © 2011 Optical Society of America.

  2. 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.

  3. 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)

  4. Analyzing the photonic band gaps in two-dimensional plasma photonic crystals with fractal Sierpinski gasket structure based on the Monte Carlo method

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hai-Feng, E-mail: hanlor@163.com [College of Optoelectronic Engineering, Nanjing University of Posts and Telecommunications, Nanjing, 210023 ,China (China); Key Laboratory of Radar Imaging and Microwave Photonics (Nanjing Univ. Aeronaut. Astronaut.), Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016 (China); Liu, Shao-Bin [Key Laboratory of Radar Imaging and Microwave Photonics (Nanjing Univ. Aeronaut. Astronaut.), Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016 (China)

    2016-08-15

    In this paper, the properties of photonic band gaps (PBGs) in two types of two-dimensional plasma-dielectric photonic crystals (2D PPCs) under a transverse-magnetic (TM) wave are theoretically investigated by a modified plane wave expansion (PWE) method where Monte Carlo method is introduced. The proposed PWE method can be used to calculate the band structures of 2D PPCs which possess arbitrary-shaped filler and any lattice. The efficiency and convergence of the present method are discussed by a numerical example. The configuration of 2D PPCs is the square lattices with fractal Sierpinski gasket structure whose constituents are homogeneous and isotropic. The type-1 PPCs is filled with the dielectric cylinders in the plasma background, while its complementary structure is called type-2 PPCs, in which plasma cylinders behave as the fillers in the dielectric background. The calculated results reveal that the enough accuracy and good convergence can be obtained, if the number of random sampling points of Monte Carlo method is large enough. The band structures of two types of PPCs with different fractal orders of Sierpinski gasket structure also are theoretically computed for a comparison. It is demonstrate that the PBGs in higher frequency region are more easily produced in the type-1 PPCs rather than in the type-2 PPCs. Sierpinski gasket structure introduced in the 2D PPCs leads to a larger cutoff frequency, enhances and induces more PBGs in high frequency region. The effects of configurational parameters of two types of PPCs on the PBGs are also investigated in detail. The results show that the PBGs of the PPCs can be easily manipulated by tuning those parameters. The present type-1 PPCs are more suitable to design the tunable compacted devices.

  5. 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.

  6. 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

  7. 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.

  8. Effects of Calcination Holding Time on Properties of Wide Band Gap Willemite Semiconductor Nanoparticles by the Polymer Thermal Treatment Method

    Directory of Open Access Journals (Sweden)

    Ibrahim Mustapha Alibe

    2018-04-01

    Full Text Available Willemite is a wide band gap semiconductor used in modern day technology for optoelectronics application. In this study, a new simple technique with less energy consumption is proposed. Willemite nanoparticles (NPs were produced via a water–based solution consisting of a metallic precursor, polyvinylpyrrolidone (PVP, and underwent a calcination process at 900 °C for several holding times between 1–4 h. The FT–IR and Raman spectra indicated the presence of metal oxide bands as well as the effective removal of PVP. The degree of the crystallization and formation of the NPs were determined by XRD. The mean crystallite size of the NPs was between 18.23–27.40 nm. The morphology, particle shape and size distribution were viewed with HR-TEM and FESEM analysis. The willemite NPs aggregate from the smaller to larger particles with an increase in calcination holding time from 1–4 h with the sizes ranging between 19.74–29.71 nm. The energy values obtained from the experimental band gap decreased with increasing the holding time over the range of 5.39 eV at 1 h to at 5.27 at 4 h. These values match well with band gap obtained from the Mott and Davis model for direct transition. The findings in this study are very promising and can justify the use of these novel materials as a potential candidate for green luminescent optoelectronic applications.

  9. Numerical Methods for the Design and Analysis of Photonic Crystal Fibres

    DEFF Research Database (Denmark)

    Roberts, John

    2008-01-01

    The numerical methods available for calculating the electromagnetic mode properties of photonic crystal fibres are reviewed. The preferred schemes for analyzing TIR guiding and band gap guiding fibres are contrasted.......The numerical methods available for calculating the electromagnetic mode properties of photonic crystal fibres are reviewed. The preferred schemes for analyzing TIR guiding and band gap guiding fibres are contrasted....

  10. 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.

  11. 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...

  12. Formation and coupling of band gaps in a locally resonant elastic system comprising a string with attached resonators

    International Nuclear Information System (INIS)

    Xiao Yong; Mace, Brian R.; Wen Jihong; Wen Xisen

    2011-01-01

    A uniform string with periodically attached spring-mass resonators represents a simple locally resonant continuous elastic system whose band gap mechanisms are basic to more general and complicated problems. In this Letter, analytical models with explicit formulations are provided to understand the band gap mechanisms of such a system. Some interesting phenomena are demonstrated and discussed, such as asymmetric/symmetric attenuation behavior within a resonance gap, and the realization of a super-wide gap due to exact coupling between Bragg and resonance gaps. In addition, some approximate formulas for the evaluation of low frequency resonance gaps are derived using an approach different from existing investigations. - Research highlights: → We examine band gaps in a special one-dimensional locally resonant system. → Bragg and resonance gaps co-exist. → Explicit formulas for locating band edges are derived. → Exact physical models are used to clarify the band gap formation mechanisms. → Coupling between Bragg and resonance gaps leads to a super-wide gap.

  13. 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...

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

    Science.gov (United States)

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

    2018-04-11

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

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

    DEFF Research Database (Denmark)

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

    2017-01-01

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

  16. Far-Field Focus and Dispersionless Anticrossing Bands in Two-Dimensional Photonic Crystals

    Directory of Open Access Journals (Sweden)

    Xiaoshuang Chen

    2007-01-01

    Full Text Available We review the simulation work for the far-field focus and dispersionless anticrossing bands in two-dimensional (2D photonic crystals. In a two-dimensional photonic-crystal-based concave lens, the far-field focus of a plane wave is given by the distance between the focusing point and the lens. Strong and good-quality far-field focusing of a transmitted wave, explicitly following the well-known wave-beam negative refraction law, can be achieved. The spatial frequency information of the Bloch mode in multiple Brillouin zones (BZs is investigated in order to indicate the wave propagation in two different regions. When considering the photonic transmission in a 2D photonic crystal composed of a negative phase-velocity medium (NPVM, it is shown that the dispersionless anticrossing bands are generated by the couplings among the localized surface polaritons of the NPVM rods. The photonic band structures of the NPVM photonic crystals are characterized by a topographical continuous dispersion relationship accompanied by many anticrossing bands.

  17. New Kronig-Penney Equation Emphasizing the Band Edge Conditions

    Science.gov (United States)

    Szmulowicz, Frank

    2008-01-01

    The Kronig-Penney problem is a textbook example for discussing band dispersions and band gap formation in periodic layered media. For example, in photonic crystals, the behaviour of bands next to the band edges is important for further discussions of such effects as inhibited light emission, slow light and negative index of refraction. However,…

  18. Fabrication of colloidal crystal heterostructures by a room temperature floating self-assembly method

    International Nuclear Information System (INIS)

    Wang Aijun; Chen Shengli; Dong Peng

    2011-01-01

    Highlights: → Opal colloidal crystal heterostructure of several square centimeters in area was fabricated within only tens of minutes. → A fabricated colloidal crystal heterostructure was composed of a PS opal and a TiO 2 inverse opal crystal films. → The photonic heterostructure had two photonic-band gaps. → The relative position of the two photonic-band gaps can be controlled by the size of PS microspheres used to fabricate the photonic heterostructure. - Abstract: Photonic crystal heterostructures were fabricated through a room temperature floating self-assembly (RTFSA) method recently developed by our research group. Applying this method, opal colloidal crystal heterostructures of several square centimeters in area were fabricated within tens of minutes without special facilities, and a heterostructure composed of a PS opal and a TiO 2 inverse opal crystal films was fabricated. SEM image of the PS opal-TiO 2 inverse opal heterostructure showed the ordered growth of the top opal film of the heterostructure was hardly disturbed by the cracks in the TiO 2 inverse opal film. The UV-vis transmission spectra indicated that the photonic heterostructures had two photonic-band gaps, and the relative position of two photonic-band gaps can be controlled by the size of PS microspheres used to fabricated the photonic heterostructures.

  19. 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.

  20. Band structures in the nematic elastomers phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shuai [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China); School of Civil Engineering and Architecture, Anyang Normal University, Anyang 455000 (China); Liu, Ying, E-mail: yliu5@bjtu.edu.cn [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China); Liang, Tianshu [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China)

    2017-02-01

    As one kind of new intelligent materials, nematic elastomers (NEs) represent an exciting physical system that combines the local orientational symmetry breaking and the entropic rubber elasticity, producing a number of unique physical phenomena. In this paper, the potential application of NEs in the band tuning is explored. The band structures in two kinds of NE phononic crystals (PCs) are investigated. Through changing NE intrinsic parameters, the influence of the porosity, director rotation and relaxation on the band structures in NE PCs are analyzed. This work is a meaningful try for application of NEs in acoustic field and proposes a new intelligent strategy in band turning.

  1. Band structures in the nematic elastomers phononic crystals

    International Nuclear Information System (INIS)

    Yang, Shuai; Liu, Ying; Liang, Tianshu

    2017-01-01

    As one kind of new intelligent materials, nematic elastomers (NEs) represent an exciting physical system that combines the local orientational symmetry breaking and the entropic rubber elasticity, producing a number of unique physical phenomena. In this paper, the potential application of NEs in the band tuning is explored. The band structures in two kinds of NE phononic crystals (PCs) are investigated. Through changing NE intrinsic parameters, the influence of the porosity, director rotation and relaxation on the band structures in NE PCs are analyzed. This work is a meaningful try for application of NEs in acoustic field and proposes a new intelligent strategy in band turning.

  2. Evidence of oxygen vacancy and possible intermediate gap state in layered α-MoO{sub 3} single-crystal nanobelts

    Energy Technology Data Exchange (ETDEWEB)

    Chen, C.Z., E-mail: tcccz@shu.edu.cn; Li, Y.; Tang, X.D.

    2016-01-15

    Multilayered meso-structured MoO{sub 3} nanobelts have been synthesized by thermally oxidizing a molybdenum chip in a reduced oxygen atmosphere, with a view to disclosing the existence of oxygen vacancy and understanding the mechanism behind the influence of oxygen vacancy on the electronic structure of molybdenum oxides. Based on the measurements from X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM) and transmission electron microscope (TEM), it is found that the as-grown sample is single-crystal α-MoO{sub 3} with a (001) preferred orientation, which shows an irregular belt-like morphology being composed of some ~20 nm single-crystal thin layers. The present sample includes a lot of oxygen vacancies in the lattice, as evidenced by the considerably reduced coordination number of the central Mo atoms from X-ray absorption spectra (XAS) as well as the red shift of the main Raman peaks. The existence of the oxygen vacancies are further tested by the photoluminescence (PL) results as the main emission peak shows an obvious red shift with the corresponding optical band gap reduced to 2.3 eV. Very importantly, an extra emission positioned at 738 nm (1.68 eV) is believed to originate from the recombination of the electrons from the intermediate band (IB) to the valence band (VB), and the formation of the IB in the gap is also caused by oxygen-ion vacancies.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

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

    DEFF Research Database (Denmark)

    Sorokin, Vladislav

    2016-01-01

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

  5. One-dimensional photonic crystal design

    International Nuclear Information System (INIS)

    Mee, Cornelis van der; Contu, Pietro; Pintus, Paolo

    2010-01-01

    In this article we present a method to determine the band spectrum, band gaps, and discrete energy levels, of a one-dimensional photonic crystal with localized impurities. For one-dimensional crystals with piecewise constant refractive indices we develop an algorithm to recover the refractive index distribution from the period map. Finally, we derive the relationship between the period map and the scattering matrix containing the information on the localized modes.

  6. Gap deformation and classical wave localization in disordered two-dimensional photonic-band-gap materials

    International Nuclear Information System (INIS)

    Lidorikis, E.; Sigalas, M. M.; Economou, E. N.; Soukoulis, C. M.

    2000-01-01

    By using two ab initio numerical methods, we study the effects that disorder has on the spectral gaps and on wave localization in two-dimensional photonic-band-gap materials. We find that there are basically two different responses depending on the lattice realization (solid dielectric cylinders in air or vice versa), the wave polarization, and the particular form under which disorder is introduced. Two different pictures for the photonic states are employed, the ''nearly free'' photon and the ''strongly localized'' photon. These originate from the two different mechanisms responsible for the formation of the spectral gaps, i.e., multiple scattering and single scatterer resonances, and they qualitatively explain our results. (c) 2000 The American Physical Society

  7. Tunable Photonic Band Gap of PS-b-P2VP Lamellar Film Using Metal Ions and pH Gradation.

    Science.gov (United States)

    Baek, Young-Bin; Choi, Soo-Hyung; Shin, Dong-Myung

    2015-02-01

    Optical properties of photonic crystal film were investigated by tuning photonic band gap (PBG). The lamellar-forming photonic films were prepared by nearly symmetric poly(styrene-b-2-vinyl pyridine) (PS-b-P2VP) block copolymers. Molecular weight of PS block and P2VP block is 52 kg/mol, and 57 kg/mol, respectively. When submerged in water, the lamellar films were swollen and show Bragg reflection in visible light region. We observed that the reflection color can be tuned by ion concentration (e.g., hydrogen or metal ion) in water. The higher concentration of hydrogen ion in solution, the longer reflectance wavelength shifted (from 537 nm to 743 nm). In addition, max-reflectance wavelength is dependent on both metal ion and the concentration. The max-reflectance wavelength is shifted from 653 nm (i.e., in water without ion) to 430 nm, 465 nm, and 505 nm for 120 mM of Ca2+, Fe2+, and Cu2+, respectively. Therefore, we can control the photonic band gap of photonic devices by changing the condition of swelling solution.

  8. 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.

  9. Tunable Topological Phononic Crystals

    KAUST Repository

    Chen, Zeguo

    2016-05-27

    Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.

  10. Tunable Topological Phononic Crystals

    KAUST Repository

    Chen, Zeguo; Wu, Ying

    2016-01-01

    Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.

  11. 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

  12. Solar cell structure incorporating a novel single crystal silicon material

    Science.gov (United States)

    Pankove, Jacques I.; Wu, Chung P.

    1983-01-01

    A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.

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

    Science.gov (United States)

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

    2017-12-01

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

  14. 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.

  15. 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.

  16. 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.

  17. 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)

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

    NARCIS (Netherlands)

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

    2013-01-01

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

  19. Band-gap tunable dielectric elastomer filter for low frequency noise

    Science.gov (United States)

    Jia, Kun; Wang, Mian; Lu, Tongqing; Zhang, Jinhua; Wang, Tiejun

    2016-05-01

    In the last decades, diverse materials and technologies for sound insulation have been widely applied in engineering. However, suppressing the noise radiation at low frequency still remains a challenge. In this work, a novel membrane-type smart filter, consisting of a pre-stretched dielectric elastomer membrane with two compliant electrodes coated on the both sides, is presented to control the low frequency noise. Since the stiffness of membrane dominates its acoustic properties, sound transmission band-gap of the membrane filter can be tuned by adjusting the voltage applied to the membrane. The impedance tube experiments have been carried out to measure the sound transmission loss (STL) of the filters with different electrodes, membrane thickness and pre-stretch conditions. The experimental results show that the center frequency of sound transmission band-gap mainly depends on the stress in the dielectric elastomer, and a large band-gap shift (more than 60 Hz) can be achieved by tuning the voltage applied to the 85 mm diameter VHB4910 specimen with pre-stretch {λ }0=3. Based on the experimental results and the assumption that applied electric field is independent of the membrane behavior, 3D finite element analysis has also been conducted to calculate the membrane stress variation. The sound filter proposed herein may provide a promising facility to control low frequency noise source with tonal characteristics.

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

    International Nuclear Information System (INIS)

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

    2000-01-01

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

  1. Design, Fabrication, and Measurement of Two-Dimensional Photonic Crystal Slab Waveguides

    International Nuclear Information System (INIS)

    Chao, Zhang; Xuan, Tang; Xiao-Yu, Mao; Kai-Yu, Cui; Lei, Cao; Yi-Dong, Huang; Wei, Zhang; Jiang-De, Peng

    2008-01-01

    Two-dimensional photonic crystal slab waveguides on SOI wafer are designed and fabricated. Photonic band gap, band gap guided mode, and index guided mode are observed by measuring the transmission spectra. The experimental results are in good agreement with the theoretical ones

  2. Temperature dependence of photonic crystals based on thermoresponsive magnetic fluids

    International Nuclear Information System (INIS)

    Pu Shengli; Bai Xuekun; Wang Lunwei

    2011-01-01

    The influence mechanisms of temperature on the band gap properties of the magnetic fluids based photonic crystals are elaborated. A method has been developed to obtain the temperature-dependent structure information (A sol /A) from the existing experimental data and then two critical parameters, i.e. the structure ratio (d/a) and the refractive index contrast (Δn) of the magnetic fluids photonic crystals are deduced for band diagram calculations. The temperature-dependent band gaps are gained for z-even and z-odd modes. Band diagram calculations display that the mid frequencies and positions of the existing forbidden bands are not very sensitive to the temperature, while the number of the forbidden bands at certain strengths of magnetic field may change with the temperature variation. The results presented in this work give a guideline for designing the potential photonic devices based on the temperature characteristics of the magnetic fluids based photonic crystals and are helpful for improving their quality. - Highlights: → Mechanisms of temperature dependence of magnetic fluids based photonic crystals are elaborated. → Properties of existing forbidden bands have relatively fine temperature stability. → Disappearance of existing forbidden band is found for some magnetic fields. → Emergence of new forbidden band with temperature is found for some magnetic fields.

  3. CdS_xTe_1_-_x ternary semiconductors band gaps calculation using ground state and GW approximations

    International Nuclear Information System (INIS)

    Kheloufi, Nawal; Bouzid, Abderrazak

    2016-01-01

    We present band gap calculations of zinc-blende ternary CdS_xTe_1_-_x semiconductors within the standard DFT and quasiparticle calculations employing pseudopotential method. The DFT, the local density approximation (LDA) and the Generalized Gradient Approximation (GGA) based calculations have given very poor results compared to experimental data. The quasiparticle calculations have been investigated via the one-shot GW approximation. The present paper discuses and confirms the effect of inclusion of the semicore states in the cadmium (Cd) pseudopotential. The obtained GW quasiparticle band gap using Cd"+"2"0 pseudopotential has been improved compared to the obtained results from the available pseudopotential without the treatment of semicore states. Our DFT and quasiparticle band gap results are discussed and compared to the available theoretical calculations and experimental data. - Graphical abstract: Band gaps improvement concerning the binary and ternary alloys using the GW approximation and Cd"2"0"+ pseudopotential with others levels of approximations (the LDA and GGA approximation employing the Cd"1"2"+ and the LDA within Cd"2"0"+ pseudopotential). - Highlights: • The direct Γ- Γ and indirect Γ- X and Γ- L bands gaps show a nonlinear behavior when S content is enhanced. • The quasiparticle band gap result for the investigated semiconductors is improved using the GW approximation. • All CdS_xTe_1_-_x compounds in all compositions range from 0 to 1 are direct band gap semiconductors.

  4. Band-engineering of TiO2 as a wide-band gap semiconductor using organic chromophore dyes

    Science.gov (United States)

    Wahyuningsih, S.; Kartini, I.; Ramelan, A. H.; Saputri, L. N. M. Z.; Munawaroh, H.

    2017-07-01

    Bond-engineering as applied to semiconductor materials refers to the manipulation of the energy bands in order to control charge transfer processes in a device. When the device in question is a photoelectrochemical cell, the charges affected by drift become the focus of the study. The ideal band gap of semiconductors for enhancement of photocatalyst activity can be lowered to match with visible light absorption and the location of conduction Band (CB) should be raised to meet the reducing capacity. Otherwise, by the addition of the chromofor organic dyes, the wide-band gab can be influences by interacation resulting between TiO2 surface and the dyes. We have done the impruvisation wide-band gap of TiO2 by the addition of organic chromophore dye, and the addition of transition metal dopand. The TiO2 morphology influence the light absorption as well as the surface modification. The organic chromophore dye was syntesized by formation complexes compound of Co(PAR)(SiPA)(PAR)= 4-(2-piridylazoresorcinol), SiPA = Silyl propil amine). The result showed that the chromophore groups adsorbed onto TiO2 surface can increase the visible light absorption of wide-band gab semiconductor. Initial absorption of a chromophore will affect light penetration into the material surfaces. The use of photonic material as a solar cell shows this phenomenon clearly from the IPCE (incident photon to current conversion efficiency) measurement data. Organic chromophore dyes of Co(PAR)(SiPA) exhibited the long wavelength absorption character compared to the N719 dye (from Dyesol).

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

    DEFF Research Database (Denmark)

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

    2015-01-01

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

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

    Science.gov (United States)

    Jiang, Hong

    2013-04-01

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

  7. 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...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-06-29

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

  9. Band structures and localization properties of aperiodic layered phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

    2012-03-15

    The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-11-30

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

  11. Goos-Haenchen shift in complex crystals

    Energy Technology Data Exchange (ETDEWEB)

    Longhi, Stefano; Della Valle, Giuseppe; Staliunas, Kestutis [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Departament de Fisica i Enginyeria Nuclear, Instituci Catalana de Recerca i Estudis Avanats (ICREA), Universitat Politcnica de Catalunya, Colom 11, E-08222 Terrassa, Barcelona (Spain)

    2011-10-15

    The Goos-Haenchen (GH) effect for wave scattering from complex PT-symmetric periodic potentials (complex crystals) is theoretically investigated, with specific reference to optical GH shift in photonic crystal slabs with a sinusoidal periodic modulation of both real and imaginary parts of the dielectric constant. The analysis highlights some distinct and rather unique features as compared to the GH shift found in ordinary crystals. In particular, as opposed to GH shift in ordinary crystals, which is large at the band gap edges, in complex crystals the GH shift can be large inside the reflection (amplification) band and becomes extremely large as the PT symmetry-breaking threshold is approached.

  12. 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

  13. 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

  14. Bands dispersion and charge transfer in β-BeH2

    Science.gov (United States)

    Trivedi, D. K.; Galav, K. L.; Joshi, K. B.

    2018-04-01

    Predictive capabilities of ab-initio method are utilised to explore bands dispersion and charge transfer in β-BeH2. Investigations are carried out using the linear combination of atomic orbitals method at the level of density functional theory. The crystal structure and related parameters are settled by coupling total energy calculations with the Murnaghan equation of state. Electronic bands dispersion from PBE-GGA is reported. The PBE-GGA, and PBE0 hybrid functional, show that β-BeH2 is a direct gap semiconductor with 1.18 and 2.40 eV band gap. The band gap slowly decreases with pressure and beyond l00 GPa overlap of conduction and valence bands at the r point is observed. Charge transfer is studied by means of Mullikan population analysis.

  15. Band structure and optical properties of opal photonic crystals

    Science.gov (United States)

    Pavarini, E.; Andreani, L. C.; Soci, C.; Galli, M.; Marabelli, F.; Comoretto, D.

    2005-07-01

    A theoretical approach for the interpretation of reflectance spectra of opal photonic crystals with fcc structure and (111) surface orientation is presented. It is based on the calculation of photonic bands and density of states corresponding to a specified angle of incidence in air. The results yield a clear distinction between diffraction in the direction of light propagation by (111) family planes (leading to the formation of a stop band) and diffraction in other directions by higher-order planes (corresponding to the excitation of photonic modes in the crystal). Reflectance measurements on artificial opals made of self-assembled polystyrene spheres are analyzed according to the theoretical scheme and give evidence of diffraction by higher-order crystalline planes in the photonic structure.

  16. 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}.

  17. 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

  18. Suppressing band gap of MoS{sub 2} by the incorporation of four- and eight-membered rings

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Liyan; Zhang, Tingting, E-mail: ttzhang@hytc.edu.cn [Huaiyin Normal University, School of Physics and Electronic & Electrical Engineering, and Jiangsu Key Laboratory of Modern Measurement Technology and Intelligent Systems (China)

    2015-05-15

    A stable planar allotrope of MoS{sub 2}, formed by introducing four- and eight-membered rings into its hexagonal network (H468), is identified to be a narrow direct-band-gap semiconductor by first principle calculations, which is remarkably different from the large band gap semiconductor of conventional MoS{sub 2} and also the zero band gap allotrope consisting of four- and eight-membered rings (H48) only. The medium-sized direct band gap indicates that H468 would find applications in nanoelectronics and near-infrared optoelectronic devices. Furthermore, the distinctive simulated scanning tunneling microscope images under positive and negative biases might be a unique characteristic for the experimental identification of such an allotrope of MoS{sub 2}.

  19. From Ba{sub 3}Ta{sub 5}O{sub 14}N to LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}: Decreasing the optical band gap of a photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Anke, B. [Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany); Bredow, T. [Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Beringstr. 4, 53115 Bonn (Germany); Pilarski, M.; Wark, M. [Institut für Chemie, Carl von Ossietzky Universität Oldenburg, Carl-von-Ossietzky-Str. 9-11, 26129 Oldenburg (Germany); Lerch, M., E-mail: martin.lerch@tu-berlin.de [Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany)

    2017-02-15

    Yellow LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was successfully synthesized as phase-pure material crystallizing isostructurally to previously reported Ba{sub 3}Ta{sub 5}O{sub 14}N and mixed-valence Ba{sub 3}Ta{sup V}{sub 4}Ta{sup IV}O{sub 15}. The electronic structure of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was studied theoretically with the range-separated hybrid method HSE06. The most stable structure was obtained when lanthanum was placed on 2a and nitrogen on 4h sites confirming Pauling's second rule. By incorporating nitrogen, the measured band gap decreases from ∼3.8 eV for the oxide via 2.74 eV for Ba{sub 3}Ta{sub 5}O{sub 14}N to 2.63 eV for the new oxide nitride, giving rise to an absorption band well in the visible-light region. Calculated fundamental band gaps confirm the experimental trend. The atom-projected density of states has large contributions from N2p orbitals close to the valence band edge. These are responsible for the observed band gap reduction. Photocatalytic hydrogen formation was investigated and compared with that of Ba{sub 3}Ta{sub 5}O{sub 14}N revealing significantly higher activity for LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} under UV-light. - Graphical abstract: X-ray powder diffraction pattern of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} with the results of the Rietveld refinements. Inset: Unit cell of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} and polyhedral representation of the crystal structure. - Highlights: • Synthesis of a new oxide nitride LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}. • Refinement of the crystal structure. • Quantum chemical calculations provided band gap close to the measured value. • New phase shows a higher photocatalytic H{sub 2} evolution rate compared to prior tested Ba{sub 3}Ta{sub 5}O{sub 14}N.

  20. 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.

  1. 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

  2. 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....

  3. 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...

  4. 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.

  5. Phononic crystals and elastodynamics: Some relevant points

    Directory of Open Access Journals (Sweden)

    N. Aravantinos-Zafiris

    2014-12-01

    Full Text Available In the present paper we review briefly some of the first works on wave propagation in phononic crystals emphasizing the conditions for the creation of acoustic band-gaps and the role of resonances to the band-gap creation. We show that useful conclusions in the analysis of phononic band gap structures can be drawn by considering the mathematical similarities of the basic classical wave equation (Helmholtz equation with Schrödinger equation and by employing basic solid state physics concepts and conclusions regarding electronic waves. In the second part of the paper we demonstrate the potential of phononic systems to be used as elastic metamaterials. This is done by demonstrating negative refraction in phononic crystals and subwavelength waveguiding in a linear chain of elastic inclusions, and by proposing a novel structure with close to pentamode behavior. Finally the potential of phononic structures to be used in liquid sensor applications is discussed and demonstrated.

  6. Breakdown of Bose-Einstein distribution in photonic crystals.

    Science.gov (United States)

    Lo, Ping-Yuan; Xiong, Heng-Na; Zhang, Wei-Min

    2015-03-30

    In the last two decades, considerable advances have been made in the investigation of nano-photonics in photonic crystals. Previous theoretical investigations of photon dynamics were carried out at zero temperature. Here, we investigate micro/nano cavity photonics in photonic crystals at finite temperature. Due to photonic-band-gap-induced localized long-lived photon dynamics, we discover that cavity photons in photonic crystals do not obey Bose-Einstein statistical distribution. Within the photonic band gap and in the vicinity of the band edge, cavity photons combine the long-lived non-Markovain dynamics with thermal fluctuations together to form photon states that memorize the initial cavity state information. As a result, Bose-Einstein distribution is completely broken down in these regimes, even if the thermal energy is larger or much larger than the cavity detuning energy. In this investigation, a crossover phenomenon from equilibrium to nonequilibrium steady states is also revealed.

  7. Analysis of Hc2(θ,T) for Mg(B1-xCx)2 single crystals by using the dirty two-gap model

    International Nuclear Information System (INIS)

    Park, Min-Seok; Lee, Hyun-Sook; Kim, Jung-Dae; Kim, Heon-Jung; Jung, Myung-Hwa; Jo, Younghun; Lee, Sung-Ik

    2007-01-01

    To understand the effect of carbon doping on the superconductivity in MgB 2 , we obtained the angle- and temperature-dependent upper critical fields [H c2 (θ) and H c2 (T)] for Mg(B 1-x C x ) 2 single crystals (x = 0.06 and 0.1) from resistivity measurements while varying the temperature, the field, and the direction of the field. The detailed values of the diffusivity for two different directions for each σ-band and π-band were obtained to explain both the temperature- and the angle-dependent H c2 by using the dirty-limit two-gap model. The induced impurity scattering of the σ-band and the π-band for both the ab-plane and the c-direction is studied. (fast track communication)

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

    NARCIS (Netherlands)

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

    2011-01-01

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

  9. 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.

  10. Band structure and optical properties of highly anisotropic LiBa2[B10O16(OH)3] decaborate crystal

    International Nuclear Information System (INIS)

    Smok, P.; Kityk, I.V.; Berdowski, J.

    2003-01-01

    The band structure (BS), charge density distribution and linear-optical properties of the anisotropic crystal LiBa 2 [B 10 O 16 (OH) 3 ] (LBBOH) are calculated using a self-consistent norm-conserving pseudopotential method within the framework of the local-density approximation theory. A high anisotropy of the band energy gap (4.22 eV for the E parallel b, 4.46 eV for the E parallel c) and giant birefringence (up to 0.20) are found. Comparison of the theoretically calculated and the experimentally measured polarised spectra of the imaginary part of the dielectric susceptibility ε 2 shows a good agreement. The anisotropy of the charge density distribution, BS dispersion and of the optical spectra originate from anisotropy between the 2p z B-2p z O and 2p y,x B-2p y,y O bonding orbitals. The observed anisotropy in the LBBOH is principally different from that of β-BaB 2 O 4 (BBO) single crystals. In the LBBOH single crystals the anisotropy of optical and charge density distribution is caused by different projection of the orbitals originating from particular borate clusters on the particular crystallographic axes, contrary to the BBO, where the anisotropy is caused prevailingly by a different local site symmetry of oxygen within the borate planes. The observed anisotropy is analysed in terms of the band energy dispersion and space charge density distribution

  11. Nonreciprocity of spin waves in magnonic crystals created by surface acoustic waves in structures with yttrium iron garnet

    International Nuclear Information System (INIS)

    Kryshtal, R.G.; Medved, A.V.

    2015-01-01

    Experimental results of investigations of nonreciprocity for surface magnetostatic spin waves (SMSW) in the magnonic crystal created by surface acoustic waves (SAW) in yttrium iron garnet films on a gallium gadolinium garnet substrate as without metallization and with aluminum films with different electrical conductivities (thicknesses) are presented. In structures without metallization, the frequency of magnonic gaps is dependent on mutual directions of propagation of the SAW and SMSW, showing nonreciprocal properties for SMSW in SAW – magnonic crystals even with the symmetrical dispersion characteristic. In metalized SAW – magnonic crystals the shift of the magnonic band gaps frequencies at the inversion of the biasing magnetic field was observed. The frequencies of magnonic band gaps as functions of SAW frequency are presented. Measured dependencies, showing the decrease of magnonic gaps frequency and the expansion of the magnonic band gap width with the decreasing of the metal film conductivity are given. Such nonreciprocal properties of the SAW – magnonic crystals are promising for signal processing in the GHz range. - Highlights: • Spin waves nonreciprocity in YIG magnonic crystals with SAW was studied. • SAW was shown to create nonreciprocity for spin waves in YIG–GGG even without metal. • Frequency and width of magnonic band gaps were measured versus metal conductivity. • Conductivity for practical use of spin waves in the structure YIG–metal was defined

  12. Nonreciprocity of spin waves in magnonic crystals created by surface acoustic waves in structures with yttrium iron garnet

    Energy Technology Data Exchange (ETDEWEB)

    Kryshtal, R.G.; Medved, A.V., E-mail: avm@ms.ire.rssi.ru

    2015-12-01

    Experimental results of investigations of nonreciprocity for surface magnetostatic spin waves (SMSW) in the magnonic crystal created by surface acoustic waves (SAW) in yttrium iron garnet films on a gallium gadolinium garnet substrate as without metallization and with aluminum films with different electrical conductivities (thicknesses) are presented. In structures without metallization, the frequency of magnonic gaps is dependent on mutual directions of propagation of the SAW and SMSW, showing nonreciprocal properties for SMSW in SAW – magnonic crystals even with the symmetrical dispersion characteristic. In metalized SAW – magnonic crystals the shift of the magnonic band gaps frequencies at the inversion of the biasing magnetic field was observed. The frequencies of magnonic band gaps as functions of SAW frequency are presented. Measured dependencies, showing the decrease of magnonic gaps frequency and the expansion of the magnonic band gap width with the decreasing of the metal film conductivity are given. Such nonreciprocal properties of the SAW – magnonic crystals are promising for signal processing in the GHz range. - Highlights: • Spin waves nonreciprocity in YIG magnonic crystals with SAW was studied. • SAW was shown to create nonreciprocity for spin waves in YIG–GGG even without metal. • Frequency and width of magnonic band gaps were measured versus metal conductivity. • Conductivity for practical use of spin waves in the structure YIG–metal was defined.

  13. 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.

  14. 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

  15. 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

  16. The Van der Waals-force-induced phononic band gap and resonant scattering in two-nanosphere aggregate

    International Nuclear Information System (INIS)

    Wu Jiuhui; Zhang Siwen; Zhou Kejiang

    2012-01-01

    A physical mechanism of phononic band gap and resonant nanoacoustic scattering in an aggregate of two elastic nanospheres is presented in this paper. By considering the Van der Waals (VdW) force between two nanospheres illuminated by nanoacoustic wave, phononic band gap and frequency shift at the lower frequency side, and largely enhanced nanoacoustic scattering at the other frequency range have been found through calculating the form function of the acoustic scattering from the nanosystem. This VdW-force-induced band gap is different from the known mechanisms of Bragg scattering and local resonances for periodic media. It is shown that when the separation distance between two nanospheres is decreasing from 20 to 1 nm, due to the increasing VdW force, the nanoacoustic scattering is much heightened by two order of magnitude, and meanwhile the frequency shift and phononic band gap at the low frequencies are both widened. These results could provide potential applications of nanoacoustic devices.

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

    Indian Academy of Sciences (India)

    Partha Goswami

    2018-02-19

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

  18. 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)

  19. Filtering of elastic waves by opal-based hypersonic crystal.

    Science.gov (United States)

    Salasyuk, Alexey S; Scherbakov, Alexey V; Yakovlev, Dmitri R; Akimov, Andrey V; Kaplyanskii, Alexander A; Kaplan, Saveliy F; Grudinkin, Sergey A; Nashchekin, Alexey V; Pevtsov, Alexander B; Golubev, Valery G; Berstermann, Thorsten; Brüggemann, Christian; Bombeck, Michael; Bayer, Manfred

    2010-04-14

    We report experiments in which high quality silica opal films are used as three-dimensional hypersonic crystals in the 10 GHz range. Controlled sintering of these structures leads to well-defined elastic bonding between the submicrometer-sized silica spheres, due to which a band structure for elastic waves is formed. The sonic crystal properties are studied by injection of a broadband elastic wave packet with a femtosecond laser. Depending on the elastic bonding strength, the band structure separates long-living surface acoustic waves with frequencies in the complete band gap from bulk waves with band frequencies that propagate into the crystal leading to a fast decay.

  20. Surface Resonance Bands on (001)W: Experimental Dispersion Relations

    DEFF Research Database (Denmark)

    Willis, R. F.; Feuerbacher, B.; Christensen, N. Egede

    1977-01-01

    A band of unbound surface states (resonances), located in an energy region above the vacuum threshold corresponding to an energy band gap in the electron states of the bulk crystal, has been observed by angle-resolved secondary-electron-emission spectroscopy. The experimental dispersion behavior...... is in agreement with the two-dimensional band structure of a clean (001)W surface recently proposed by Smith and Mittheiss....

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

    Directory of Open Access Journals (Sweden)

    P. G. Prabhash

    2016-05-01

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

  2. Photonic band structures in one-dimensional photonic crystals containing Dirac materials

    International Nuclear Information System (INIS)

    Wang, Lin; Wang, Li-Gang

    2015-01-01

    We have investigated the band structures of one-dimensional photonic crystals (1DPCs) composed of Dirac materials and ordinary dielectric media. It is found that there exist an omnidirectional passing band and a kind of special band, which result from the interaction of the evanescent and propagating waves. Due to the interface effect and strong dispersion, the electromagnetic fields inside the special bands are strongly enhanced. It is also shown that the properties of these bands are invariant upon the lattice constant but sensitive to the resonant conditions

  3. 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.

  4. Electronic band-gap modified passive silicon optical modulator at telecommunications wavelengths.

    Science.gov (United States)

    Zhang, Rui; Yu, Haohai; Zhang, Huaijin; Liu, Xiangdong; Lu, Qingming; Wang, Jiyang

    2015-11-13

    The silicon optical modulator is considered to be the workhorse of a revolution in communications. In recent years, the capabilities of externally driven active silicon optical modulators have dramatically improved. Self-driven passive modulators, especially passive silicon modulators, possess advantages in compactness, integration, low-cost, etc. Constrained by a large indirect band-gap and sensitivity-related loss, the passive silicon optical modulator is scarce and has been not advancing, especially at telecommunications wavelengths. Here, a passive silicon optical modulator is fabricated by introducing an impurity band in the electronic band-gap, and its nonlinear optics and applications in the telecommunications-wavelength lasers are investigated. The saturable absorption properties at the wavelength of 1.55 μm was measured and indicates that the sample is quite sensitive to light intensity and has negligible absorption loss. With a passive silicon modulator, pulsed lasers were constructed at wavelengths at 1.34 and 1.42 μm. It is concluded that the sensitive self-driven passive silicon optical modulator is a viable candidate for photonics applications out to 2.5 μm.

  5. The band structures of three-dimensional nonlinear plasma photonic crystals

    Directory of Open Access Journals (Sweden)

    Hai-Feng Zhang

    2018-01-01

    Full Text Available In this paper, the properties of the photonic band gaps (PBGs for three-dimensional (3D nonlinear plasma photonic crystals (PPCs are theoretically investigated by the plane wave expansion method, whose equations for calculations also are deduced. The configuration of 3D nonlinear PPCs is the Kerr nonlinear dielectric spheres (Kerr effect is considered inserted in the plasma background with simple-cubic lattices. The inserted dielectric spheres are Kerr nonlinear dielectrics whose relative permittivities are the functions of the external light intensity. Three different Kerr nonlinear dielectrics are considered, which can be expressed as the functions of space coordinates. The influences of the parameters for the Kerr nonlinear dielectrics on the PBGs also are discussed. The calculated results demonstrate that the locations, bandwidths and number of PBGs can be manipulated with the different Kerr nonlinear dielectrics. Compared with the conventional 3D dielectric PCs and PPCs with simple-cubic lattices, the more PBGs or larger PBG can be achieved in the 3D nonlinear PPCs. Those results provide a new way to design the novel devices based on the PPCs.

  6. 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.

  7. Band gap engineering of hydrogenated amorphous carbon thin films for solar cell application

    Science.gov (United States)

    Dwivedi, Neeraj; Kumar, Sushil; Dayal, Saurabh; Rauthan, C. M. S.; Panwar, O. S.; Malik, Hitendra K.

    2012-10-01

    In this work, self bias variation, nitrogen introduction and oxygen plasma (OP) treatment approaches have been used for tailoring the band gap of hydrogenated amorphous carbon (a-C:H) thin films. The band gap of a-C:H and modified a- C:H films is varied in the range from 1.25 eV to 3.45 eV, which is found to be nearly equal to the full solar spectrum (1 eV- 3.5 eV). Hence, such a-C:H and modified a-C:H films are found to be potential candidate for the development of full spectrum solar cells. Besides this, computer aided simulation with considering variable band gap a-C:H and modified a- C:H films as window layer for amorphous silicon p-i-n solar cells is also performed by AFORS-HET software and maximum efficiency as ~14 % is realized. Since a-C:H is hard material, hence a-C:H and modified a-C:H films as window layer may avoid the use of additional hard and protective coating particularly in n-i-p configuration.

  8. Band structure and optical properties of opal photonic crystals

    OpenAIRE

    Pavarini, E.; Andreani, L. C.; Soci, C.; Galli, M.; Marabelli, F.; Comoretto, D.

    2005-01-01

    A theoretical approach for the interpretation of reflectance spectra of opal photonic crystals with fcc structure and (111) surface orientation is presented. It is based on the calculation of photonic bands and density of states corresponding to a specified angle of incidence in air. The results yield a clear distinction between diffraction in the direction of light propagation by (111) family planes (leading to the formation of a stop band) and diffraction in other directions by higher-order...

  9. On the band gap dependence of refractive indices of some quaternary III-V and II-VI compounds of device interest

    International Nuclear Information System (INIS)

    Ghosh, D.K.; Chatterjee, U.; Samanta, L.K.

    1988-01-01

    The credibility of the model proposed by Ghosh in predicting the refractive indices of mixed semiconductor crystals of technological importance within their miscibility range as a function of band gap is demonstrated. The high-frequency refractive indices of four quaternary alloys Al x Ga 1-x-y In y P (y = 0.49, 0 ≤ x ≤ 0.51), InSb x As 1-x-y P y (y = 2.2x, 0 ≤ x ≤ 0.313, 0 ≤ y ≤ 0.638), Cd x Zn 1-x-y Hg y Se (x + y = 1, 0.153 ≤ x ≤ 0.684, 0.316 ≤ y ≤ 0.847), and CdS 1-x-y Se x Te y (x + y = 1, 0.15 ≤ x ≤ 0.93, 0.07 ≤ y ≤ 0.85) are calculated according to the relation n 2 -1 = A/(E g + B) 2 where A is an energy gap dependent constant and B is a constant depending on crystal ionicity. The calculated values show excellent agreement with the experimental data thus justifying the validity of the model

  10. Cation substitution induced blue-shift of optical band gap in ...

    Indian Academy of Sciences (India)

    2017-06-09

    Jun 9, 2017 ... direct optical band gap of energy 3.37 eV and a large exci- ton binding ... this method with other earth–alkaline elements like Be and. Ca and these will .... where Cij are the elastic stiffness constants whose values are given by ...

  11. Band-edge photoluminescence in CdTe

    International Nuclear Information System (INIS)

    Horodysky, P.; Grill, R.; Hlidek, P.

    2006-01-01

    Near band-gap photoluminescence (PL) and absorption of bulk crystals of CdTe were measured over a wide range of temperatures (4-500 K). It is demonstrated that the high-temperature (above 150 K) PL intensity correlates with a lower quality of the samples and quasiparticle localization induced by the crystal potential fluctuations. The influence of the high absorption coefficient at the free-exciton resonance energy on the PL spectra is analytically studied by solving the diffusion-recombination equation. We show that the reabsorption of the radiation by the free-exciton states creates two illusory PL maxima. No dead surface layer is needed to explain reabsorption effects. The room-temperature PL maximum matches neither the free-exciton resonance nor the band-gap energy. The high temperature PL is explained by the recombination of electrons and holes localized on potential fluctuations. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Quasiparticle self-consistent GW theory of III-V nitride semiconductors: Bands, gap bowing, and effective masses

    DEFF Research Database (Denmark)

    Svane, Axel; Christensen, Niels Egede; Gorczyca, I.

    2010-01-01

    on the basis of the local approximation to density functional theory, although generally overestimated by 0.2–0.3 eV in comparison with experimental gap values. Details of the electronic energies and the effective masses including their pressure dependence are compared with available experimental information....... The band gap of InGaN2 is considerably smaller than what would be expected by linear interpolation implying a significant band gap bowing in InGaN alloys....

  13. 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.

  14. 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

  15. 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.

  16. Elastic Properties and the Band Gap of AlNxP1-x Semiconductor Alloy: A Comparative Study of Various Ab Initio Approaches

    Directory of Open Access Journals (Sweden)

    M. P. Polak

    2016-01-01

    Full Text Available Structural and elastic properties of AlNxP1-x, a novel semiconductor alloy, are studied from the first principles in both zinc-blende and wurtzite structures. Performances of the finite difference (FD method and the density functional perturbation theory (DFPT are tested and compared. Both of these methods are applied to two different approaches of alloy simulation, a supercell of 16 and 32 atoms (for zinc-blende and wurtzite structures, resp. and the alchemical mixing (AM method, where the pseudopotentials are mixed in an appropriate way to form an alloy. All elastic properties, including the elastic tensors, elastic moduli, Poisson’s ratio, B/G, and relaxation coefficient, as well as lattice parameters are calculated using all said methods. Conclusions about the use of the approaches investigated in this paper and about their performance are drawn. In addition, in both crystal structures, the band gap is studied in the whole composition range using the MBJLDA functional. The band gap bowings are unusually high, which confirms earlier reports.

  17. CdS{sub x}Te{sub 1-x} ternary semiconductors band gaps calculation using ground state and GW approximations

    Energy Technology Data Exchange (ETDEWEB)

    Kheloufi, Nawal; Bouzid, Abderrazak, E-mail: a_bouzid34@hotmail.com

    2016-06-25

    We present band gap calculations of zinc-blende ternary CdS{sub x}Te{sub 1-x} semiconductors within the standard DFT and quasiparticle calculations employing pseudopotential method. The DFT, the local density approximation (LDA) and the Generalized Gradient Approximation (GGA) based calculations have given very poor results compared to experimental data. The quasiparticle calculations have been investigated via the one-shot GW approximation. The present paper discuses and confirms the effect of inclusion of the semicore states in the cadmium (Cd) pseudopotential. The obtained GW quasiparticle band gap using Cd{sup +20} pseudopotential has been improved compared to the obtained results from the available pseudopotential without the treatment of semicore states. Our DFT and quasiparticle band gap results are discussed and compared to the available theoretical calculations and experimental data. - Graphical abstract: Band gaps improvement concerning the binary and ternary alloys using the GW approximation and Cd{sup 20+} pseudopotential with others levels of approximations (the LDA and GGA approximation employing the Cd{sup 12+} and the LDA within Cd{sup 20+} pseudopotential). - Highlights: • The direct Γ- Γ and indirect Γ- X and Γ- L bands gaps show a nonlinear behavior when S content is enhanced. • The quasiparticle band gap result for the investigated semiconductors is improved using the GW approximation. • All CdS{sub x}Te{sub 1-x} compounds in all compositions range from 0 to 1 are direct band gap semiconductors.

  18. 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)

  19. Evanescent waves and deaf bands in sonic crystals

    Science.gov (United States)

    Romero-García, V.; Garcia-Raffi, L. M.; Sánchez-Pérez, J. V.

    2011-12-01

    The properties of sonic crystals (SC) are theoretically investigated in this work by solving the inverse problem k(ω) using the extended plane wave expansion (EPWE). The solution of the resulting eigenvalue problem gives the complex band structure which takes into account both the propagating and the evanescent modes. In this work we show the complete mathematical formulation of the EPWE for SC and the supercell approximation for its use in both a complete SC and a SC with defects. As an example we show a novel interpretation of the deaf bands in a complete SC in good agreement with multiple scattering simulations.

  20. 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

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

    NARCIS (Netherlands)

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

    2017-01-01

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

  2. 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.

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

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  4. Agile Photonic Crystals

    Science.gov (United States)

    2011-01-03

    75, pp. 3253-3256, Oct. 1995. [24] F. Benabid, J. C. Knight, and P. S. J. Russell, “Particle levitation and guidance in hollow-core photonic crystal...B. Mizaikoff, “Midinfrared sensors meet nanotechnology: Trace gas sensing with quantum cascade lasers inside photonic band-gap hollow waveguides

  5. 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.

  6. Effect of disorder on photonic band gaps

    International Nuclear Information System (INIS)

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

    1999-01-01

    We study the transmission of electromagnetic waves propagating in three-dimensional disordered photonic crystals that are periodic on the average with a diamond symmetry. The transmission has been calculated using the transfer matrix method. We study two different geometries for the scatterers: spheres and rods connecting nearest neighbors. We find that the gaps of the periodic structure survive to a higher amount of disorder in the rods close-quote case than in the spheres close-quote case. We argue that this is due to the connectivity of the rod structure that exists for any amount of disorder. copyright 1999 The American Physical Society

  7. 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.

  8. Light exiting from real photonic band gap crystals is diffuse and strongly directional

    NARCIS (Netherlands)

    Koenderink, A.F.; Vos, Willem L.

    2003-01-01

    Any photonic crystal is in practice periodic with some inevitable fabricational imperfections. We have measured angle-resolved transmission of photons that are multiply scattered by this disorder in strongly photonic crystals. Peculiar non-Lambertian distributions occur as a function of frequency:

  9. Controlling elastic waves with small phononic crystals containing rigid inclusions

    KAUST Repository

    Peng, Pai

    2014-05-01

    We show that a two-dimensional elastic phononic crystal comprising rigid cylinders in a solid matrix possesses a large complete band gap below a cut-off frequency. A mechanical model reveals that the band gap is induced by negative effective mass density, which is affirmed by an effective medium theory based on field averaging. We demonstrate, by two examples, that such elastic phononic crystals can be utilized to design small devices to control low-frequency elastic waves. One example is a waveguide made of a two-layer anisotropic elastic phononic crystal, which can guide and bend elastic waves with wavelengths much larger than the size of the waveguide. The other example is the enhanced elastic transmission of a single-layer elastic phononic crystal loaded with solid inclusions. The effective mass density and reciprocal of the modulus of the single-layer elastic phononic crystal are simultaneously near zero. © CopyrightEPLA, 2014.

  10. Bulk band gaps in divalent hexaborides: A soft x-ray emission study

    International Nuclear Information System (INIS)

    Denlinger, Jonathan D.; Gweon, Gey-Hong; Allen, James W.; Bianchi, Andrea D.; Fisk, Zachary

    2001-01-01

    Boron K-edge soft x-ray emission and absorption are used to address the fundamental question of whether divalent hexaborides are intrinsic semimetals or defect-doped bandgap insulators. These bulk sensitive measurements, complementary and consistent with surface-sensitive angle-resolved photoemission experiments, confirm the existence of a bulk band gap and the location of the chemical potential at the bottom of the conduction band

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

    OpenAIRE

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

    2015-01-01

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

  12. 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.

  13. Optical and electrical properties of ZrSe3 single crystals grown by ...

    Indian Academy of Sciences (India)

    Unknown

    The optical band gap ... The indirect as well as direct band gap of ZrSe3 were found to be 1⋅1 eV and 1⋅47 eV, respec- ... solar cell studies have attracted attention of crystal grow- ers. .... shown in figures 1 and 2, it is possible to determine the.

  14. Hole geometry effect on stop-band characteristics of photonic crystal in Ti-diffused LiNbO_3 waveguide

    International Nuclear Information System (INIS)

    Zhao, Quan-Zhou; Zhang, Zi-Bo; Xu, Jia-Qi; Wong, Wing-Han; Yu, Dao-Yin; Pun, Edwin Yue-Bun

    2017-01-01

    Effects of finite hole depth and non-cylindrical hole shape on stop-band characteristics of photonic crystal formed by air-hole square lattice in Ti-diffused LiNbO_3 strip waveguide were studied theoretically. The study shows that hole depth determines the contrast of stop-band, and the hole radius and conical angle determine the bandgap and location. Cylindrical holes must be sufficiently deep so as to overlap most of waveguide mode and hence obtain a stop-band with high contrast, sharp edge and broad bandgap. Non-cylindrical holes seriously affect the stop-band features. Conical holes cause low contrast and narrow bandgap, and the stop-band shifts with the conical angle. For the cylindrical-conical hybrid holes, the cylindrical portion determines the desired features. Given the difficulty in fabricating high aspect-ratio cylindrical holes, we propose to fabricate the holes at the bottom of a shallow trench, which is introduced into waveguide surface prior to the hole milling. - Highlights: • Cylindrical hole must be deep enough and a shallow waveguide is required. • Increasing hole radius causes blueshift, broadening and edge sharpening of band. • Non-cylindrical hole seriously affects gap, location and contrast of stop-band. • For cylindrical-conical hybrid hole, cylindrical part determines desired features. • A scheme of milling holes at bottom of a trench on waveguide surface is proposed.

  15. 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.

  16. Evanescent waves and deaf bands in sonic crystals

    Directory of Open Access Journals (Sweden)

    V. Romero-García

    2011-12-01

    Full Text Available The properties of sonic crystals (SC are theoretically investigated in this work by solving the inverse problem k(ω using the extended plane wave expansion (EPWE. The solution of the resulting eigenvalue problem gives the complex band structure which takes into account both the propagating and the evanescent modes. In this work we show the complete mathematical formulation of the EPWE for SC and the supercell approximation for its use in both a complete SC and a SC with defects. As an example we show a novel interpretation of the deaf bands in a complete SC in good agreement with multiple scattering simulations.

  17. Zak phase induced multiband waveguide by two-dimensional photonic crystals.

    Science.gov (United States)

    Yang, Yuting; Xu, Tao; Xu, Yun Fei; Hang, Zhi Hong

    2017-08-15

    Interface states in photonic crystals provide efficient approaches to control the flow of light. Photonic Zak phase determines the bulk band properties of photonic crystals, and, by assembling two photonic crystals with different bulk band properties together, deterministic interface states can be realized. By translating each unit cell of a photonic crystal by half the lattice constant, another photonic crystal with identical common gaps but a different Zak phase at each photonic band can be created. By assembling these two photonic crystals together, multiband waveguide can thus be easily created and then experimentally characterized. Our experimental results have good agreement with numerical simulations, and the propagation properties of these measured interface states indicate that this new type of interface state will be a good candidate for future applications of optical communications.

  18. Effect of Crystallization Firing on Marginal Gap of CAD/CAM Fabricated Lithium Disilicate Crowns.

    Science.gov (United States)

    Gold, Steven A; Ferracane, Jack L; da Costa, Juliana

    2018-01-01

    To evaluate the marginal gaps of CAD/CAM (CEREC 3) produced crowns made from leucite-reinforced glass-ceramic (IPS Empress CAD) blocks (LG), and lithium-disilicate (IPS e.max CAD) blocks before (LD-B), and after (LD-A) crystallization firing. A human molar tooth (#19) was mounted with adjacent teeth on a typodont and prepared for a full-coverage ceramic crown. The typodont was assembled in the mannequin head to simulate clinical conditions. After tooth preparation 15 individual optical impressions were taken by the same operator using titanium dioxide powder and a CEREC 3 camera per manufacturer's instructions. One operator designed and machined the crowns in leucite-reinforced glass-ceramic blocks (n = 5) and lithium-disilicate blocks (n = 10) using the CEREC 3 system. The crowns were rigidly seated on the prepared tooth, and marginal gaps (μm) were measured with an optical microscope (500×) at 12 points, 3 on each of the M, B, D, and L surfaces of the leucite-reinforced glass-ceramic crowns and the lithium-disilicate crowns before and after crystallization firing. Results were analyzed by two-way ANOVA followed by a Tukey's post hoc multiple comparison test (α = 0.05). The overall mean marginal gaps (μm) for the crowns evaluated were: LG = 49.2 ± 5.5, LD-B = 42.9 ± 12.2, and LD-A = 57.2 ± 16.0. The marginal gaps for LG and LD-B were not significantly different, but both were significantly less than for LD-A. The type of ceramic material did not affect the marginal gap of CAD/CAM crowns. The crystallization firing process required for lithium-disilicate crowns resulted in a significant increase in marginal gap size, likely due to shrinkage of the ceramic during the crystallization process. The marginal gap of CAD/CAM-fabricated lithium disilicate crowns increases following crystallization firing. The marginal gap still remains within clinically acceptable parameters. © 2017 by the American College of Prosthodontists.

  19. Mode multiplexing at 2×20Gbps over 19-cell hollow-core photonic band gap fibre

    DEFF Research Database (Denmark)

    Carpenter, Joel; Xu, Jing; Peucheret, Christophe

    2012-01-01

    This paper demonstrates the first mode-multiplexed system over 19-cell hollow-core photonic band gap fibre, at 2×20Gbps using the LP0,1 and LP2,1-like modes.......This paper demonstrates the first mode-multiplexed system over 19-cell hollow-core photonic band gap fibre, at 2×20Gbps using the LP0,1 and LP2,1-like modes....

  20. Crystal-field investigations of rare-earth-doped wide band gap semiconductors

    CERN Multimedia

    Muller, S; Wahl, U

    Crystal field investigations play a central role in the studies of rare earth doped semiconductors. Optical stark level spectroscopy and lattice location studies of radioactive rare earth isotopes implanted at ISOLDE have provided important insight into these systems during the last years. It has been shown that despite a major site preference of the probe atoms in the lattice, several defect configurations do exist. These sites are visible in the optical spectra but their origin and nature aren't deducible from these spectra alone. Hyperfine measurements on the other hand should reveal these defect configurations and yield the parameters necessary for a description of the optical properties at the atomic scale. In order to study the crystal field with this alternative approach, we propose a new concept for perturbed $\\gamma\\gamma$-angular correlation (PAC) experiments at ISOLDE based on digital signal processing in contrast to earlier analog setups. The general functionality of the spectrometer is explained ...

  1. 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.

  2. Strongly-Refractive One-Dimensional Photonic Crystal Prisms

    Science.gov (United States)

    Ting, David Z. (Inventor)

    2004-01-01

    One-dimensional (1D) photonic crystal prisms can separate a beam of polychromatic electromagnetic waves into constituent wavelength components and can utilize unconventional refraction properties for wavelength dispersion over significant portions of an entire photonic band rather than just near the band edges outside the photonic band gaps. Using a ID photonic crystal simplifies the design and fabrication process and allows the use of larger feature sizes. The prism geometry broadens the useful wavelength range, enables better optical transmission, and exhibits angular dependence on wavelength with reduced non-linearity. The properties of the 1 D photonic crystal prism can be tuned by varying design parameters such as incidence angle, exit surface angle, and layer widths. The ID photonic crystal prism can be fabricated in a planar process, and can be used as optical integrated circuit elements.

  3. Using specific heat to scan gaps and anisotropy of MgB2

    International Nuclear Information System (INIS)

    Bouquet, F.; Wang, Y.; Toulemonde, P.; Guritanu, V.; Junod, A.; Eisterer, M.; Weber, H.W.; Lee, S.; Tajima, S.

    2004-01-01

    We performed specific heat measurements to study the superconducting properties of the ∼40 K superconductor MgB 2 , up to 16 T, using polycrystal and single crystal samples. Our results establish the validity of the two-gap model. We tested the effect of disorder by irradiating our sample. This procedure decreased T c down to ∼26 K, but did not suppress completely the smaller gap, at variance with theoretical expectations. A positive effect of the irradiation was the increase of H c2 up to almost 30 T. Our results on the single crystal allow the anisotropy of each band to be determined independently, and show the existence of a cross-over field well below H c2 characterizing the physics of the small-gapped band. We also present preliminary results on Nb 3 Sn, showing similar, but weaker effects

  4. Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals

    KAUST Repository

    Fonari, Alexandr

    2014-10-21

    We evaluate the impact that the amount of nonlocal Hartree-Fock (%HF) exchange included in a hybrid density functional has on the microscopic parameters (transfer integrals, band gaps, bandwidths, and effective masses) describing charge transport in high-mobility organic crystals. We consider both crystals based on a single molecule, such as pentacene, and crystals based on mixed-stack charge-transfer systems, such as dibenzo-TTF–TCNQ. In the pentacene crystal, the band gap decreases and the effective masses increase linearly with an increase in the amount of %HF exchange. In contrast, in the charge-transfer crystals, while the band gap increases linearly, the effective masses vary only slightly with an increase in %HF exchange. We show that the superexchange nature of the electronic couplings in charge-transfer systems is responsible for this peculiar evolution of the effective masses. We compare the density functional theory results with results obtained within the G0W0 approximation as a way of benchmarking the optimal amount of %HF exchange needed in a given functional.

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

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Krebs, Frederik C

    2007-01-01

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

  6. 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 .

  7. Measurements of quasiparticle tunneling dynamics in a band-gap-engineered transmon qubit.

    Science.gov (United States)

    Sun, L; DiCarlo, L; Reed, M D; Catelani, G; Bishop, Lev S; Schuster, D I; Johnson, B R; Yang, Ge A; Frunzio, L; Glazman, L; Devoret, M H; Schoelkopf, R J

    2012-06-08

    We have engineered the band gap profile of transmon qubits by combining oxygen-doped Al for tunnel junction electrodes and clean Al as quasiparticle traps to investigate energy relaxation due to quasiparticle tunneling. The relaxation time T1 of the qubits is shown to be insensitive to this band gap engineering. Operating at relatively low-E(J)/E(C) makes the transmon transition frequency distinctly dependent on the charge parity, allowing us to detect the quasiparticles tunneling across the qubit junction. Quasiparticle kinetics have been studied by monitoring the frequency switching due to even-odd parity change in real time. It shows the switching time is faster than 10  μs, indicating quasiparticle-induced relaxation has to be reduced to achieve T1 much longer than 100  μs.

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

    Science.gov (United States)

    Li, Yi; Xu, Yanlong

    2018-02-01

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

  9. Charge Separation and Recombination in Small Band Gap Oligomer-Fullerene Triads

    NARCIS (Netherlands)

    Karsten, Bram P.; Bouwer, Ricardo K. M.; Hummelen, Jan C.; Williams, Rene M.; Janssen, Rene A. J.

    2010-01-01

    Synthesis and photophysics of a series of thiophene-thienopyrazine small band gap oligomers end-capped at both ends with C(60) are presented In these triads a photoinduced electron transfer reaction occurs between the oligomer as a donor and the fullerene as an acceptor Femtosecond photoinduced

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

    Science.gov (United States)

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

    2016-09-01

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

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

    Science.gov (United States)

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

    2017-12-13

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

  12. Enhancement of broadband optical absorption in photovoltaic devices by band-edge effect of photonic crystals.

    Science.gov (United States)

    Tanaka, Yoshinori; Kawamoto, Yosuke; Fujita, Masayuki; Noda, Susumu

    2013-08-26

    We numerically investigate broadband optical absorption enhancement in thin, 400-nm thick microcrystalline silicon (µc-Si) photovoltaic devices by photonic crystals (PCs). We realize absorption enhancement by coupling the light from the free space to the large area resonant modes at the photonic band-edge induced by the photonic crystals. We show that multiple photonic band-edge modes can be produced by higher order modes in the vertical direction of the Si photovoltaic layer, which can enhance the absorption on multiple wavelengths. Moreover, we reveal that the photonic superlattice structure can produce more photonic band-edge modes that lead to further optical absorption. The absorption average in wavelengths of 500-1000 nm weighted to the solar spectrum (AM 1.5) increases almost twice: from 33% without photonic crystal to 58% with a 4 × 4 period superlattice photonic crystal; our result outperforms the Lambertian textured structure.

  13. 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...

  14. 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.

  15. 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.

  16. Hole geometry effect on stop-band characteristics of photonic crystal in Ti-diffused LiNbO{sub 3} waveguide

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Quan-Zhou [Department of Opto-electronics and Information Engineering, School of Precision Instruments and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Optoelectronic Information Technology (Ministry of Education), Tianjin University, Tianjin 300072 (China); School of Physics and Electronic Engineering, University of Shanxi Datong, Datong 037009 (China); Zhang, Zi-Bo [University of Toulouse 3, Faculty of Engineering, 118 Route de Narbonne, F-31062 Toulouse (France); Xu, Jia-Qi [Department of Opto-electronics and Information Engineering, School of Precision Instruments and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Optoelectronic Information Technology (Ministry of Education), Tianjin University, Tianjin 300072 (China); Wong, Wing-Han, E-mail: eewhwong@cityu.edu.hk [Department of Opto-electronics and Information Engineering, School of Precision Instruments and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Optoelectronic Information Technology (Ministry of Education), Tianjin University, Tianjin 300072 (China); Department of Electronic Engineering and State Key Laboratory of Millimeter Waves, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong (China); Yu, Dao-Yin [Department of Opto-electronics and Information Engineering, School of Precision Instruments and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Optoelectronic Information Technology (Ministry of Education), Tianjin University, Tianjin 300072 (China); Pun, Edwin Yue-Bun [Department of Electronic Engineering and State Key Laboratory of Millimeter Waves, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong (China); and others

    2017-01-15

    Effects of finite hole depth and non-cylindrical hole shape on stop-band characteristics of photonic crystal formed by air-hole square lattice in Ti-diffused LiNbO{sub 3} strip waveguide were studied theoretically. The study shows that hole depth determines the contrast of stop-band, and the hole radius and conical angle determine the bandgap and location. Cylindrical holes must be sufficiently deep so as to overlap most of waveguide mode and hence obtain a stop-band with high contrast, sharp edge and broad bandgap. Non-cylindrical holes seriously affect the stop-band features. Conical holes cause low contrast and narrow bandgap, and the stop-band shifts with the conical angle. For the cylindrical-conical hybrid holes, the cylindrical portion determines the desired features. Given the difficulty in fabricating high aspect-ratio cylindrical holes, we propose to fabricate the holes at the bottom of a shallow trench, which is introduced into waveguide surface prior to the hole milling. - Highlights: • Cylindrical hole must be deep enough and a shallow waveguide is required. • Increasing hole radius causes blueshift, broadening and edge sharpening of band. • Non-cylindrical hole seriously affects gap, location and contrast of stop-band. • For cylindrical-conical hybrid hole, cylindrical part determines desired features. • A scheme of milling holes at bottom of a trench on waveguide surface is proposed.

  17. 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.

  18. 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.

  19. Band gap opening of bilayer graphene by F4-TCNQ molecular doping and externally applied electric field.

    Science.gov (United States)

    Tian, Xiaoqing; Xu, Jianbin; Wang, Xiaomu

    2010-09-09

    The band gap opening of bilayer graphene with one side surface adsorption of F4-TCNQ is reported. F4-TCNQ doped bilayer graphene shows p-type semiconductor characteristics. With a F4-TCNQ concentration of 1.3 x 10(-10) mol/cm(2), the charge transfer between each F4-TCNQ molecule and graphene is 0.45e, and the built-in electric field, E(bi), between the graphene layers could reach 0.070 V/A. The charge transfer and band gap opening of the F4-TCNQ-doped graphene can be further modulated by an externally applied electric field (E(ext)). At 0.077 V/A, the gap opening at the Dirac point (K), DeltaE(K) = 306 meV, and the band gap, E(g) = 253 meV, are around 71% and 49% larger than those of the pristine bilayer under the same E(ext).

  20. A novel Ka-band coaxial transit-time oscillator with a four-gap buncher

    Energy Technology Data Exchange (ETDEWEB)

    Song, Lili; He, Juntao; Ling, Junpu [College of Optoelectronic Science and Engineering, National University of Defense Technology, Changsha 410073 (China)

    2015-05-15

    A novel Ka-band coaxial transit-time oscillator (TTO) with a four-gap buncher is proposed and investigated. Simulation results show that an output power of 1.27 GW and a frequency of 26.18 GHz can be achieved with a diode voltage of 447 kV and a beam current of 7.4 kA. The corresponding power efficiency is 38.5%, and the guiding magnetic field is 0.6 T. Studies and analysis indicate that a buncher with four gaps can modulate the electron beam better than the three-gap buncher in such a Ka-band TTO. Moreover, power efficiency increases with the coupling coefficient between the buncher and the extractor. Further simulation demonstrates that power efficiency can reach higher than 30% with a guiding magnetic field of above 0.5 T. Besides, the power efficiency exceeds 30% in a relatively large range of diode voltage from 375 kV to 495 kV.

  1. 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

  2. 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.

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

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Hagemann, Ole; Manceau, Matthieu

    2010-01-01

    connected cells were prepared with a total module active area of 96 cm2. The devices were tested for operational stability under simulated sunlight (AM1.5G) and natural sunlight, and the photochemical stability of the polymer was examined using a combination of UV−vis and IR spectroscopy.......We present the synthesis of a low band gap copolymer based on dithienothiophene and dialkoxybenzothiadiazole (poly(dithienothiophene-co-dialkoxybenzothiadiazole), PDTTDABT). The optical properties of the polymer showed a band gap of 1.6 eV and a sky-blue color in solid films. The polymer...... around a 1:2 mixing ratio. Roll-to-roll coated polymer solar cell devices were prepared under ambient conditions employing solution processing in all steps including the metallic back electrode that was printed as a grid giving semitransparent solar cell devices. Solar cell modules comprising 16 serially...

  4. Effect of Sn on the optical band gap determined using absorption spectrum fitting method

    Energy Technology Data Exchange (ETDEWEB)

    Heera, Pawan, E-mail: sramanb70@mailcity.com [Department of Physics, Himachal Pradesh University, Shimla, INDIA, 171005 (India); Govt. College Amb, Himachal Pradesh, INDIA,177203 (India); Kumar, Anup, E-mail: kumar.anup.sml@gmail.com [Department of Physics, Himachal Pradesh University, Shimla, INDIA, 171005 (India); Physics Department, Govt. College, Kullu, H. P., INDIA, 175101 (India); Sharma, Raman, E-mail: pawanheera@yahoo.com [Department of Physics, Himachal Pradesh University, Shimla, INDIA, 171005 (India)

    2015-05-15

    We report the preparation and the optical studies on tellurium rich glasses thin films. The thin films of Se{sub 30}Te{sub 70-x} Sn{sub x} system for x= 0, 1.5, 2.5 and 4.5 glassy alloys prepared by melt quenching technique are deposited on the glass substrate using vacuum thermal evaporation technique. The analysis of absorption spectra in the spectral range 400nm–4000 nm at room temperature obtained from UV-VIS-NIR spectrophotometer [Perkin Elmer Lamda-750] helps us in the optical characterization of the thin films under study. The absorption spectrum fitting method is applied by using the Tauc’s model for estimating the optical band gap and the width of the band tail of the thin films. The optical band gap is calculated and is found to decrease with the Sn content.

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

    KAUST Repository

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

    2009-01-01

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

  6. H-shaped oligothiophenes with low band gaps and amphoteric redox properties

    KAUST Repository

    Luo, Jing

    2010-12-17

    H-shaped bridged oligothiophenes HT-1 and HT-2 were synthesized by two different approaches. Different from normal oligothiophenes, HT-1 and HT-2 showed low band gaps and amphoteric redox behaviors due to intramolecular charge transfer, which is further supported by time-dependent DFT calculations. © 2010 American Chemical Society.

  7. Effect of a Nitrogen Impurity on the Fundamental Raman Band of Diamond Single Crystals

    Science.gov (United States)

    Gusakov, G. A.; Samtsov, M. P.; Voropay, E. S.

    2018-05-01

    The effect of nitrogen defects in natural and synthetic diamond single crystals on the position and half-width of the fundamental Raman band was investigated. Samples containing the main types of nitrogen lattice defects at impurity contents of 1-1500 ppm were studied. The parameters of the Stokes and anti-Stokes components in Raman spectra of crystals situated in a cell with distilled water to minimize the influence of heating by the exciting laser radiation were analyzed to determine the effect of a nitrogen impurity in the diamond crystal lattice. It was shown that an increase of impurity atoms in the crystals in the studied concentration range resulted in broadening of the Raman band from 1.61 to 2.85 cm-1 and shifting of the maximum to lower frequency from 1332.65 to 1332.3 cm-1. The observed effect was directly proportional to the impurity concentration and depended on the form of the impurity incorporated into the diamond lattice. It was found that the changes in the position and half-width of the fundamental Raman band for diamond were consistent with the magnitude of crystal lattice distortions due to the presence of impurity defects and obeyed the Gruneisen law.

  8. Optical band gap of ZnO thin films deposited by electron beam evaporation

    International Nuclear Information System (INIS)

    Nadeem, M. Y.; Ali, S. L.; Wasiq, M. F.; Rana, A. M.

    2006-01-01

    Optical band gap of ZnO thin films deposited by electron beam evaporation at evaporation rates ranging 5 As/sup -1/ to 15 As /sup -1/ and thickness ranging 1000A to 3000A is presented. Deposited films were annealed at 573K for one and half hour. The variations in the optical band gap were observed and showed decreasing behavior from 3.15 eV, 3.05 eV, from 3.18 eV to 3.10 eV and from 3.19 eV to 3.18 eV for films with respective thickness 1000A, 2000 A, 3000 A on increasing the evaporation rate from 5 As/sup-1/ to As/sup -1/ by keeping thickness constant. (author)

  9. Structuring β-Ga2O3 photonic crystal photocatalyst for efficient degradation of organic pollutants.

    Science.gov (United States)

    Li, Xiaofang; Zhen, Xiuzheng; Meng, Sugang; Xian, Jiangjun; Shao, Yu; Fu, Xianzhi; Li, Danzhen

    2013-09-03

    Coupling photocatalysts with photonic crystals structure is based on the unique property of photonic crystals in confining, controlling, and manipulating the incident photons. This combination enhances the light absorption in photocatalysts and thus greatly improves their photocatalytic performance. In this study, Ga2O3 photonic crystals with well-arranged skeleton structures were prepared via a dip-coating infiltration method. The positions of the electronic band absorption for Ga2O3 photonic crystals could be made to locate on the red edge, on the blue edge, and away from the edge of their photonic band gaps by changing the pore sizes of the samples, respectively. Particularly, the electronic band absorption of the Ga2O3 photonic crystal with a pore size of 135 nm was enhanced more than other samples by making it locate on the red edge of its photonic band gap, which was confirmed by the higher instantaneous photocurrent and photocatalytic activity for the degradation of various organic pollutants under ultraviolet light irradiation. Furthermore, the degradation mechanism over Ga2O3 photonic crystals was discussed. The design of Ga2O3 photonic crystals presents a prospective application of photonic crystals in photocatalysis to address light harvesting and quantum efficiency problems through manipulating photons or constructing photonic crystal structure as groundwork.

  10. 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

  11. 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...

  12. Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals

    KAUST Repository

    Fonari, Alexandr; Sutton, Christopher; Bredas, Jean-Luc; Coropceanu, Veaceslav

    2014-01-01

    in high-mobility organic crystals. We consider both crystals based on a single molecule, such as pentacene, and crystals based on mixed-stack charge-transfer systems, such as dibenzo-TTF–TCNQ. In the pentacene crystal, the band gap decreases

  13. Quantum spin Hall insulator BiXH (XH = OH, SH) monolayers with a large bulk band gap.

    Science.gov (United States)

    Hu, Xing-Kai; Lyu, Ji-Kai; Zhang, Chang-Wen; Wang, Pei-Ji; Ji, Wei-Xiao; Li, Ping

    2018-05-16

    A large bulk band gap is critical for the application of two-dimensional topological insulators (TIs) in spintronic devices operating at room temperature. On the basis of first-principles calculations, we predict BiXH (X = OH, SH) monolayers as TIs with an extraordinarily large bulk gap of 820 meV for BiOH and 850 meV for BiSH, and propose a tight-binding model considering spin-orbit coupling to describe the electronic properties of BiXH. These large gaps are entirely due to the strong spin-orbit interaction related to the pxy orbitals of the Bi atoms of the honeycomb lattice. The orbital filtering mechanism can be used to understand the topological properties of BiXH. The XH groups simply remove one branch of orbitals (pz of Bi) and reduce the trivial 6-band lattice into a 4-band, which is topologically non-trivial. The topological characteristics of BiXH monolayers are confirmed by nonzero topological invariant Z2 and a single pair of gapless helical edge states in the bulk gap. Owing to these features, the BiXH monolayers of the large-gap TIs are an ideal platform to realize many exotic phenomena and fabricate new quantum devices working at room temperature.

  14. Synthesis, crystal and band structures, and properties of a new supramolecular complex (Hg2As)2(CdI4)

    International Nuclear Information System (INIS)

    Zou Jianping; Wu Dongsheng; Huang Shuping; Zhu Jing; Guo Guocong; Huang Jinshun

    2007-01-01

    A new quaternary supramolecular complex (Hg 2 As) 2 (CdI 4 ) (1) has been prepared by the solid-state reaction and structurally characterized by single crystal X-ray diffraction analysis. Compound 1 crystallizes in the space group P2 1 of the monoclinic system with two formula units in a cell: a=7.945(4), b=12.934(6), c=8.094(4) A, β=116.898 o (1), V=741.7(6) A 3 . The structure of 1 is characterized by a tridymite-like three-dimensional cationic framework, which is composed of mercury and arsenic atoms, with the channels being occupied by discrete CdI 4 2- tetrahedral guest-anions. The optical properties were investigated in terms of the diffuse reflectance and Fourier transform infrared spectra. The electronic band structure along with density of states (DOS) calculated by DFT method indicates that the present compound is a semiconductor with a direct band gap, and that the optical absorption is mainly originated from the charge transitions from I-5p and As-4p to Cd-5s and Hg-6s states. - Graphical abstract: A new quaternary supramolecular complex (Hg 2 As) 2 (CdI 4 ) (1) has been prepared by the solid-state reaction, and structurally characterized by single crystal X-ray diffraction analysis. The structure of 1 is characterized by a 3-D tridymite-like cationic framework with the channels being occupied by discrete CdI 4 2- tetrahedral guest-anions

  15. Numerical study on characteristic of two-dimensional metal/dielectric photonic crystals

    International Nuclear Information System (INIS)

    Zong Yi-Xin; Xia Jian-Bai; Wu Hai-Bin

    2017-01-01

    An improved plan-wave expansion method is adopted to theoretically study the photonic band diagrams of two-dimensional (2D) metal/dielectric photonic crystals. Based on the photonic band structures, the dependence of flat bands and photonic bandgaps on two parameters (dielectric constant and filling factor) are investigated for two types of 2D metal/dielectric (M/D) photonic crystals, hole and cylinder photonic crystals. The simulation results show that band structures are affected greatly by these two parameters. Flat bands and bandgaps can be easily obtained by tuning these parameters and the bandgap width may reach to the maximum at certain parameters. It is worth noting that the hole-type photonic crystals show more bandgaps than the corresponding cylinder ones, and the frequency ranges of bandgaps also depend strongly on these parameters. Besides, the photonic crystals containing metallic medium can obtain more modulation of photonic bands, band gaps, and large effective refractive index, etc. than the dielectric/dielectric ones. According to the numerical results, the needs of optical devices for flat bands and bandgaps can be met by selecting the suitable geometry and material parameters. (paper)

  16. Controllable Tamm states in magnetophotonic crystal

    International Nuclear Information System (INIS)

    Merzlikin, A.M.; Vinogradov, A.P.; Dorofeenko, A.V.; Inoue, M.; Levy, M.; Granovsky, A.B.

    2007-01-01

    We study the Tamm states existing at the interface of a 1D magnetophotonic crystal made of magneto-optic material and a material with natural anisotropy. It is shown that in such a photonic crystal (PC) Yeh's band gap may exist, which causes a special type of the Tamm state. As this state is due to magneto-optic properties, it is controllable by an external magnetic field

  17. Strain- and electric field-induced band gap modulation in nitride nanomembranes

    International Nuclear Information System (INIS)

    Amorim, Rodrigo G; Zhong Xiaoliang; Mukhopadhyay, Saikat; Pandey, Ravindra; Rocha, Alexandre R; Karna, Shashi P

    2013-01-01

    The hexagonal nanomembranes of the group III-nitrides are a subject of interest due to their novel technological applications. In this paper, we investigate the strain- and electric field-induced modulation of their band gaps in the framework of density functional theory. For AlN, the field-dependent modulation of the bandgap is found to be significant whereas the strain-induced semiconductor-metal transition is predicted for GaN. A relatively flat conduction band in AlN and GaN nanomembranes leads to an enhancement of their electronic mobility compared to that of their bulk counterparts. (paper)

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  19. 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.

  20. Optical band gap energy and ur bach tail of CdS:Pb2+ thin films

    Energy Technology Data Exchange (ETDEWEB)

    Chavez, M.; Juarez, H.; Pacio, M. [Universidad Autonoma de Puebla, Instituto de Ciencias, Centro de Investigacion en Dispositivos Semiconductores, Av. 14 Sur, Col. Jardines de San Manuel, Ciudad Universitaria, Puebla, Pue. (Mexico); Gutierrez, R.; Chaltel, L.; Zamora, M.; Portillo, O. [Universidad Autonoma de Puebla, Facultad de Ciencias Quimicas, Laboratorio de Materiales, Apdo. Postal 1067, 72001 Puebla, Pue. (Mexico); Mathew, X., E-mail: osporti@yahoo.mx [UNAM, Instituto de Energias Renovables, Temixco, Morelos (Mexico)

    2016-11-01

    Pb S-doped CdS nano materials were successfully synthesized using chemical bath. Transmittance measurements were used to estimate the optical band gap energy. Tailing in the band gap was observed and found to obey Ur bach rule. The diffraction X-ray show that the size of crystallites is in the ∼33 nm to 12 nm range. The peaks belonging to primary phase are identified at 2θ = 26.5 degrees Celsius and 2θ = 26.00 degrees Celsius corresponding to CdS and Pb S respectively. Thus, a shift in maximum intensity peak from 2θ = 26.4 to 28.2 degrees Celsius is clear indication of possible transformation of cubic to hexagonal phase. Also peaks at 2θ = 13.57, 15.9 degrees Celsius correspond to lead perchlorate thiourea. The effects on films thickness and substrate doping on the band gap energy and the width on tail were investigated. Increasing doping give rise to a shift in optical absorption edge ∼0.4 eV. (Author)

  1. Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet.

    Science.gov (United States)

    Warren, Joshua A; Riddle, Matthew E; Graziano, Diane J; Das, Sujit; Upadhyayula, Venkata K K; Masanet, Eric; Cresko, Joe

    2015-09-01

    Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.

  2. A model for the direct-to-indirect band-gap transition in monolayer ...

    Indian Academy of Sciences (India)

    Abstract. A monolayer of MoSe2 is found to be a direct band-gap semiconductor. We show, ... In order to determine appropriate basis for the tight-binding model, the Mo and Se ..... RD thanks the Council of Scientific and Industrial Research.

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

    Science.gov (United States)

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

    2016-01-13

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

  4. Influence of magnetic anisotropy on dynamic magnonic crystals created by surface acoustic waves in yttrium iron garnet films

    Energy Technology Data Exchange (ETDEWEB)

    Kryshtal, R.G.; Medved, A.V., E-mail: avm@ms.ire.rssi.ru

    2017-03-15

    Experimental results on the investigation of the influence of magnetic crystallographic anisotropy onto parameters of dynamic magnonic crystals arising at surface acoustic wave (SAW) propagation in yttrium iron garnet (YIG) films are presented. The main features of such an influence, as we have shown, are: 1) appearance of extra magnonic band gaps together with the normal magnonic band gap existing without anisotropy, 2) the absence of reflections of the incident surface magnetostatic wave at the frequency of these extra gaps, 3) the same depth for the extra gaps was achieved with a relatively small SAW power, almost by the order of magnitude less than in the case of normal magnonic gaps caused by SAW. A possible explanation of the features is given on the base of inelastic scattering of surface magnetostatic waves by SAW with the transformation of the reflected surface wave to the anisotropic direct volume magnetostatic wave existence of which is due to cubic crystallographic anisotropy in YIG. These results may be useful in designing new devices of information processing. - Highlights: • A new mechanism of creation of dynamic magnonic crystals by SAW propagating in real YIG films with magnetic anisotropy is investigated. • This mechanism is based on inelastic scattering of SMSW by SAW with SMSW transformation to the anisotropic volume magnetostatic wave. • This mechanism brings to creating by SAW additional (extra) magnonic stop bands for SMSW. • The given depth of these band gaps is achieved at SAW powers of the order of magnitude less than in the case of normal magnonic gaps created by SAW in the magnonic crystal without taking into account the anisotropy. • No reflected waves, usually taking place at SMSW propagation at the frequency of normal magnonic gaps, were detected. Such extra gaps look like a magnonic 'black hole' for SMSW. • These new properties of SAW-magnonic crystals, given by the magnetic anisotropy, may be used at creating

  5. Influence of magnetic anisotropy on dynamic magnonic crystals created by surface acoustic waves in yttrium iron garnet films

    International Nuclear Information System (INIS)

    Kryshtal, R.G.; Medved, A.V.

    2017-01-01

    Experimental results on the investigation of the influence of magnetic crystallographic anisotropy onto parameters of dynamic magnonic crystals arising at surface acoustic wave (SAW) propagation in yttrium iron garnet (YIG) films are presented. The main features of such an influence, as we have shown, are: 1) appearance of extra magnonic band gaps together with the normal magnonic band gap existing without anisotropy, 2) the absence of reflections of the incident surface magnetostatic wave at the frequency of these extra gaps, 3) the same depth for the extra gaps was achieved with a relatively small SAW power, almost by the order of magnitude less than in the case of normal magnonic gaps caused by SAW. A possible explanation of the features is given on the base of inelastic scattering of surface magnetostatic waves by SAW with the transformation of the reflected surface wave to the anisotropic direct volume magnetostatic wave existence of which is due to cubic crystallographic anisotropy in YIG. These results may be useful in designing new devices of information processing. - Highlights: • A new mechanism of creation of dynamic magnonic crystals by SAW propagating in real YIG films with magnetic anisotropy is investigated. • This mechanism is based on inelastic scattering of SMSW by SAW with SMSW transformation to the anisotropic volume magnetostatic wave. • This mechanism brings to creating by SAW additional (extra) magnonic stop bands for SMSW. • The given depth of these band gaps is achieved at SAW powers of the order of magnitude less than in the case of normal magnonic gaps created by SAW in the magnonic crystal without taking into account the anisotropy. • No reflected waves, usually taking place at SMSW propagation at the frequency of normal magnonic gaps, were detected. Such extra gaps look like a magnonic 'black hole' for SMSW. • These new properties of SAW-magnonic crystals, given by the magnetic anisotropy, may be used at creating

  6. 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.

  7. 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)

  8. Optical band gap study of a-Se and Se-Sb thin films

    International Nuclear Information System (INIS)

    Kaur, Ramandeep; Singh, Palwinder; Thakur, Anup

    2016-01-01

    Amorphous selenium (a-Se) and a-Se_9_5Sb_5 alloy were prepared using melt quenching technique. X-ray diffraction (XRD) pattern confirmed the amorphous nature of the prepared samples. Composition of the prepared samples has been determined using Energy dispersive X-ray fluorescence (EDXRF) technique. Differential thermal analysis (DTA) confirmed the glassy nature of the prepared samples. Thin films of the prepared samples were deposited on glass substrate using thermal evaporation method. Amorphous nature of the deposited films was confirmed using XRD. Optical properties of these films were obtained from the UV-VIS transmission spectra, at normal incidence, over 200-1100 nm spectral range. The optical absorption edge was described by using the model given by the Tauc. Optical band gap of the deposited films was calculated using Tauc plot. Optical characterization showed that average transmission and optical band gap decreased with the addition of antinomy.

  9. Inter-band phase fluctuations in macroscopic quantum tunneling of multi-gap superconducting Josephson junctions

    Energy Technology Data Exchange (ETDEWEB)

    Asai, Hidehiro, E-mail: hd-asai@aist.go.jp [Electronics and Photonics Research Institute (ESPRIT), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan); Ota, Yukihiro [CCSE, Japan Atomic Energy Agency, Kashiwa, Chiba 277-8587 (Japan); Kawabata, Shiro [Electronics and Photonics Research Institute (ESPRIT), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan); Nori, Franco [CEMS, RIKEN, Wako-shi, Saitama 351-0198 (Japan); Physics Department, University of Michigan, Ann Arbor, MI 48109-1040 (United States)

    2014-09-15

    Highlights: • We study MQT in Josephson junctions composed of multi-gap superconductors. • We derive a formula of the MQT escape rate for multiple phase differences. • We investigate the effect of inter-band phase fluctuation on MQT. • The MQT escape rate is significantly enhanced by the inter-band phase fluctuation. - Abstract: We theoretically investigate macroscopic quantum tunneling (MQT) in a hetero Josephson junction formed by a conventional single-gap superconductor and a multi-gap superconductor. In such Josephson junctions, phase differences for each tunneling channel are defined, and the fluctuation of the relative phase differences appear which is referred to as Josephson–Leggett’s mode. We take into account the effect of the fluctuation in the tunneling process and calculate the MQT escape rate for various junction parameters. We show that the fluctuation of relative phase differences drastically enhances the escape rate.

  10. Inter-band phase fluctuations in macroscopic quantum tunneling of multi-gap superconducting Josephson junctions

    International Nuclear Information System (INIS)

    Asai, Hidehiro; Ota, Yukihiro; Kawabata, Shiro; Nori, Franco

    2014-01-01

    Highlights: • We study MQT in Josephson junctions composed of multi-gap superconductors. • We derive a formula of the MQT escape rate for multiple phase differences. • We investigate the effect of inter-band phase fluctuation on MQT. • The MQT escape rate is significantly enhanced by the inter-band phase fluctuation. - Abstract: We theoretically investigate macroscopic quantum tunneling (MQT) in a hetero Josephson junction formed by a conventional single-gap superconductor and a multi-gap superconductor. In such Josephson junctions, phase differences for each tunneling channel are defined, and the fluctuation of the relative phase differences appear which is referred to as Josephson–Leggett’s mode. We take into account the effect of the fluctuation in the tunneling process and calculate the MQT escape rate for various junction parameters. We show that the fluctuation of relative phase differences drastically enhances the escape rate

  11. Band structure and optical properties of diglycine nitrate crystal

    International Nuclear Information System (INIS)

    Andriyevsky, Bohdan; Ciepluch-Trojanek, Wioleta; Romanyuk, Mykola; Patryn, Aleksy; Jaskolski, Marcin

    2005-01-01

    Experimental and theoretical investigations of the electron energy characteristics and optical spectra for diglycine nitrate crystal (DGN) (NH 2 CH 2 COOH) 2 .HNO 3 , in the paraelectric phase (T=295K) are presented. Spectral dispersion of light reflection R(E) have been measured in the range of 3-22eV and the optical functions n(E) and k(E) have been calculated using Kramers-Kronig relations. First principal calculations of the electron energy characteristic and optical spectra of DGN crystal have been performed in the frame of density functional theory using CASTEP code (CAmbridge Serial Total Energy Package). Optical transitions forming the low-energy edge of fundamental absorption are associated with the nitrate groups NO 3 . Peculiarities of the band structure and DOS projected onto glycine and NO 3 groups confirm the molecular character of DGN crystal

  12. Energetic band structure of Zn3P2 crystals

    Science.gov (United States)

    Stamov, I. G.; Syrbu, N. N.; Dorogan, A. V.

    2013-01-01

    Optical functions n, k, ε1, ε2 and d2ε2/dE2 have been determined from experimental reflection spectra in the region of 1-10 eV. The revealed electronic transitions are localized in the Brillouin zone. The magnitude of valence band splitting caused by the spin-orbital interaction ΔSO is lower than the splitting caused by the crystal field ΔCR in the center of Brillouin zone and L and X points. The switching effects are investigated in Zn3P2 crystals. The characteristics of experimental samples with electric switching, adjustable resistors, and time relays based on Zn3P2 are presented.

  13. Switching mechanism due to the spontaneous emission cancellation in photonic band gap materials doped with nano-particles

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-03-26

    We have investigated the switching mechanism due to the spontaneous emission cancellation in a photonic band gap (PBG) material doped with an ensemble of four-level nano-particles. The effect of the dipole-dipole interaction has also been studied. The linear susceptibility has been calculated in the mean field theory. Numerical simulations for the imaginary susceptibility are performed for a PBG material which is made from periodic dielectric spheres. It is predicted that the system can be switched between the absorbing state and the non-absorbing state by changing the resonance energy within the energy bands of the photonic band gap material.0.

  14. Ligand mediated synthesis of AgInSe2 nanoparticles with tetragonal/orthorhombic crystal phases

    International Nuclear Information System (INIS)

    Abazović, Nadica D.; Čomor, Mirjana I.; Mitrić, Miodrag N.; Piscopiello, Emanuela; Radetić, Tamara; Janković, Ivana A.; Nedeljković, Jovan M.

    2012-01-01

    Nanosized AgInSe 2 particles (d ∼ 7–25 nm) were synthesized using colloidal chemistry method at 270 °C. As solvents/surface ligands 1-octadecene, trioctylphosphine, and oleylamine were used. It was shown that choice of ligand has crucial impact not only on final crystal phase of nanoparticles, but also at mechanism of crystal growth. X-ray diffraction and TEM/HRTEM techniques were used to identify obtained crystal phases and to measure average size and shape of nanoparticles. UV/Vis data were used to estimate band-gap energies of obtained samples. It was shown that presented routes can provide synthesis of nanoparticles with desired crystal phase (tetragonal and/or orthorhombic), with band-gap energies in the range from 1.25 to 1.53 eV.

  15. Reconfigurable dual-band metamaterial antenna based on liquid crystals

    Science.gov (United States)

    Che, Bang-Jun; Meng, Fan-Yi; Lyu, Yue-Long; Wu, Qun

    2018-05-01

    In this paper, a novel reconfigurable dual-band metamaterial antenna with a continuous beam that is electrically steered in backward to forward directions is first proposed by employing a liquid crystal (LC)-loaded tunable extended composite right-/left-handed (E-CRLH) transmission line (TL). The frequency-dependent property of the E-CRLH TL is analyzed and a compact unit cell based on the nematic LC is proposed to realize the tunable dual band characteristics. The phase constant of the proposed unit cell can be dynamically continuously tuned from negative to positive values in two operating bands by changing the bias voltage of the loaded LC material. A resulting dual band fixed-frequency beam steering property has been predicted by numerical simulations and experimentally verified. The measured results show that the fabricated reconfigurable antenna features an electrically controlled continuous beam steering from backward  ‑16° to forward  +13° at 7.2 GHz and backward  ‑9° to forward  +17° at 9.4 GHz, respectively. This electrically controlled beam steering range turns out to be competitive with the previously reported single band reconfigurable antennas. Besides, the measured and simulated results of the proposed reconfigurable dual-band metamaterial antenna are in good agreement.

  16. 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.

  17. Using specific heat to scan gaps and anisotropy of MgB{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Bouquet, F.; Wang, Y.; Toulemonde, P.; Guritanu, V.; Junod, A.; Eisterer, M.; Weber, H.W.; Lee, S.; Tajima, S

    2004-08-01

    We performed specific heat measurements to study the superconducting properties of the {approx}40 K superconductor MgB{sub 2}, up to 16 T, using polycrystal and single crystal samples. Our results establish the validity of the two-gap model. We tested the effect of disorder by irradiating our sample. This procedure decreased T{sub c} down to {approx}26 K, but did not suppress completely the smaller gap, at variance with theoretical expectations. A positive effect of the irradiation was the increase of H{sub c2} up to almost 30 T. Our results on the single crystal allow the anisotropy of each band to be determined independently, and show the existence of a cross-over field well below H{sub c2} characterizing the physics of the small-gapped band. We also present preliminary results on Nb{sub 3}Sn, showing similar, but weaker effects.

  18. Light-gated single CdSe nanowire transistor: photocurrent saturation and band gap extraction

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yang, E-mail: yangzh08@gmail.com; Chakraborty, Ritun; Kudera, Stefan; Krahne, Roman, E-mail: roman.krahne@iit.it [Istituto Italiano di Tecnologia, Nanochemistry department (Italy)

    2015-11-15

    CdSe nanowires are popular building blocks for many optoelectronic devices mainly owing to their direct band gap in the visible range of the spectrum. Here we investigate the optoelectronic properties of single CdSe nanowires fabricated by colloidal synthesis, in terms of their photocurrent–voltage characteristics and photoconductivity spectra recorded at 300 and 18 K. The photocurrent is identified as the secondary photocurrent, which gives rise to a photoconductive gain of ∼35. We observe a saturation of the photocurrent beyond a certain voltage bias that can be related to the finite drift velocity of electrons. From the photoconductivity spectra, we determine the band gap energy of the nanowires as ∼1.728 eV, and we resolve low-energy peaks that can be associated with sub-bandgap states.Graphical Abstract.

  19. Unidirectional Wave Propagation in Low-Symmetric Colloidal Photonic-Crystal Heterostructures

    Directory of Open Access Journals (Sweden)

    Vassilios Yannopapas

    2015-03-01

    Full Text Available We show theoretically that photonic crystals consisting of colloidal spheres exhibit unidirectional wave propagation and one-way frequency band gaps without breaking time-reversal symmetry via, e.g., the application of an external magnetic field or the use of nonlinear materials. Namely, photonic crystals with low symmetry such as the monoclinic crystal type considered here as well as with unit cells formed by the heterostructure of different photonic crystals show significant unidirectional electromagnetic response. In particular, we show that the use of scatterers with low refractive-index contrast favors the formation of unidirectional frequency gaps which is the optimal route for achieving unidirectional wave propagation.

  20. Unidirectional Wave Propagation in Low-Symmetric Colloidal Photonic-Crystal Heterostructures.

    Science.gov (United States)

    Yannopapas, Vassilios

    2015-03-19

    We show theoretically that photonic crystals consisting of colloidal spheres exhibit unidirectional wave propagation and one-way frequency band gaps without breaking time-reversal symmetry via, e.g., the application of an external magnetic field or the use of nonlinear materials. Namely, photonic crystals with low symmetry such as the monoclinic crystal type considered here as well as with unit cells formed by the heterostructure of different photonic crystals show significant unidirectional electromagnetic response. In particular, we show that the use of scatterers with low refractive-index contrast favors the formation of unidirectional frequency gaps which is the optimal route for achieving unidirectional wave propagation.

  1. 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.

  2. Systematic study of photoluminescence upon band gap excitation in perovskite-type titanates R 1/2Na1/2TiO3:Pr (R=La, Gd, Lu, and Y)

    International Nuclear Information System (INIS)

    Inaguma, Yoshiyuki; Tsuchiya, Takeshi; Katsumata, Tetsuhiro

    2007-01-01

    Pr 3+ -doped perovskites R 1/2 Na 1/2 TiO 3 :Pr (R=La, Gd, Lu, and Y) were synthesized, and their structures, optical absorption and luminescent properties were investigated, and the relationship between structures and optical properties are discussed. Optical band gap of R 1/2 Na 1/2 TiO 3 increases in the order R=La, Gd, Y, and Lu, which is primarily due to a decrease in band width accompanied by a decrease in Ti-O-Ti bond angle. Intense red emission assigned to f-f transition of Pr 3+ from the excited 1 D 2 level to the ground 3 H 4 state upon the band gap photo-excitation (UV) was observed for all compounds. The wavelength of emission peaks was red-shifted in the order R=La, Gd, Y, and Lu, which originates from the increase in crystal field splitting of Pr 3+ . This is attributed to the decrease in inter-atomic distances of Pr-O together with the inter-atomic distances (R, Na)-O, i.e., increase in covalency between Pr and O. The results indicate that the luminescent properties in R 1/2 Na 1/2 TiO 3 :Pr are governed by the relative energy level between the ground and excited state of 4f 2 for Pr 3+ , and the conduction and valence band, which is primarily dependent on the structure, e.g., the tilt of TiO 6 octahedra and the Pr-Ti inter-atomic distance and the site symmetry of Pr ion. - Graphical abstract: The red intense emission assigned to f-f transition of Pr 3+ from the excited 1 D 2 level to the ground 3 H 4 state upon the band gap photo-excitation (UV) was observed upon the band gap photo-excitation in perovskites R 1/2 Na 1/2 TiO 3 :Pr(R=La, Gd, Lu, and Y). It was found that the systematic changes in their luminescent properties are strongly dependent on the structure

  3. Limits of slow light in photonic crystals

    DEFF Research Database (Denmark)

    Pedersen, Jesper Goor; Xiao, Sanshui; Mortensen, N. Asger

    2008-01-01

    in the group velocity acquiring a finite value above zero at the band-gap edges while attaining uperluminal values within the band gap. Simple scalings of the minimum and maximum group velocities with the imaginary part of the dielectric function or, equivalently, the linewidth of the broadened states......While ideal photonic crystals would support modes with a vanishing group velocity, state-of-the-art structures have still only provided a slow down by roughly two orders of magnitude. We find that the induced density of states caused by lifetime broadening of the electromagnetic modes results...... are presented. The results obtained are entirely general and may be applied to any effect which results in a broadening of the electromagnetic states, such as loss, disorder, and finite-size effects. This significantly limits the reduction in group velocity attainable via photonic crystals....

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

    Science.gov (United States)

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

    2017-06-28

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

  5. Three new chalcohalides, Ba4Ge2PbS8Br2, Ba4Ge2PbSe8Br2 and Ba4Ge2SnS8Br2: Syntheses, crystal structures, band gaps, and electronic structures

    International Nuclear Information System (INIS)

    Lin, Zuohong; Feng, Kai; Tu, Heng; Kang, Lei; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng

    2014-01-01

    Highlights: • Three new chalcohalides: Ba 4 Ge 2 PbS 8 Br 2 , Ba 4 Ge 2 PbSe 8 Br 2 and Ba 4 Ge 2 SnS 8 Br 2 have been synthesized. • The MQ 5 Br octahedra and GeQ 4 tetrahedra form a three-dimensional framework with Ba 2+ in the channels. • Band Gaps and electronic structures of the three compounds were studied. - Abstract: Single crystals of three new chalcohalides: Ba 4 Ge 2 PbS 8 Br 2 , Ba 4 Ge 2 PbSe 8 Br 2 and Ba 4 Ge 2 SnS 8 Br 2 have been synthesized for the first time. These isostructural compounds crystallize in the orthorhombic space group Pnma. In the structure, the tetra-valent Ge atom is tetrahedrally coordinated with four Q (Q = S, Se) atoms, while the bi-valent M atom (M = Pb, Sn) is coordinated with an obviously distorted octahedron of five Q (Q = S, Se) atoms and one Br atom, showing the stereochemical activity of the ns 2 lone pair electron. The MQ 5 Br (M = Sn, Pb; Q = S, Se) distorted octahedra and the GeQ 4 (Q = S, Se) tetrahedra are connected to each other to form a three-dimensional framework with channels occupied by Ba 2+ cations. Based on UV–vis–NIR spectroscopy measurements and the electronic structure calculations, Ba 4 Ge 2 PbS 8 Br 2 , Ba 4 Ge 2 PbSe 8 Br 2 and Ba 4 Ge 2 SnS 8 Br 2 have indirect band gaps of 2.054, 1.952, and 2.066 eV respectively, which are mainly determined by the orbitals from the Ge, M and Q atoms (M = Pb, Sn; Q = S, Se)

  6. Dual Band Magnonic Crystals: Model System and Basic Spin Wave Dynamics

    Directory of Open Access Journals (Sweden)

    Federico Montoncello

    2016-01-01

    Full Text Available We investigate a special design of two-dimensional magnonic crystal, consisting of two superimposed lattices with different lattice constants, such that spin waves (SWs can propagate either in one or the other sublattice, depending on which of the two frequency bands they belong to. The SW bands are separated by a very large bandgap (in our model system, 6 GHz, easily tunable by changing the direction of an applied magnetic field, and the overlap of their spatial distribution, for any frequency of their bands, is always negligible. These properties make the designed system an ideal test system for a magnonic dual band waveguide, where the simultaneous excitation and subsequent propagation of two independent SW signals are allowed, with no mutual interference.

  7. Controllable Tamm states in magnetophotonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Merzlikin, A.M. [Institute for Theoretical and Applied Electromagnetics, Russian Academy of Science, 13/19 Izhorskaya ul., 125412 Moscow (Russian Federation); Vinogradov, A.P. [Institute for Theoretical and Applied Electromagnetics, Russian Academy of Science, 13/19 Izhorskaya ul., 125412 Moscow (Russian Federation)]. E-mail: a-vinogr@yandex.ru; Dorofeenko, A.V. [Institute for Theoretical and Applied Electromagnetics, Russian Academy of Science, 13/19 Izhorskaya ul., 125412 Moscow (Russian Federation); Inoue, M. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, 1-1 Hibari-Ga-Oka, Tempaku, Toyohashi 441-8580 (Japan); Levy, M. [Department of Physics, Michigan Technological University, 1400 Townsend Drive Houghton, MI 49931-1295 (United States); Granovsky, A.B. [Faculty of Physics, M.V. Lomonosov Moscow State University, Vorob' evy Gory, 119992 Moscow (Russian Federation)

    2007-05-15

    We study the Tamm states existing at the interface of a 1D magnetophotonic crystal made of magneto-optic material and a material with natural anisotropy. It is shown that in such a photonic crystal (PC) Yeh's band gap may exist, which causes a special type of the Tamm state. As this state is due to magneto-optic properties, it is controllable by an external magnetic field.

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

    Science.gov (United States)

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

    2007-07-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-09-14

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

  10. Intrinsic magnetism and spontaneous band gap opening in bilayer silicene and germanene.

    Science.gov (United States)

    Wang, Xinquan; Wu, Zhigang

    2017-01-18

    It has been long sought to create magnetism out of simple non-magnetic materials, such as silicon and germanium. Here we show that intrinsic magnetism exists in bilayer silicene and germanene with no need to cut, etch, or dope. Unlike bilayer graphene, strong covalent interlayer bonding formed in bilayer silicene and germanene breaks the original π-bonding network of each layer, leaving the unbonded electrons unpaired and localized to carry magnetic moments. These magnetic moments then couple ferromagnetically within each layer while antiferromagnetically across two layers, giving rise to an infinite magnetic sheet with structural integrity and magnetic homogeneity. Furthermore, this unique magnetic ordering results in fundamental band gaps of 0.55 eV and 0.32 eV for bilayer silicene and germanene, respectively. The integration of intrinsic magnetism and spontaneous band gap opening makes bilayer silicene and germanene attractive for future nanoelectronics as well as spin-based computation and data storage.

  11. Phononic Crystal Made of Multilayered Ridges on a Substrate for Rayleigh Waves Manipulation

    Directory of Open Access Journals (Sweden)

    Mourad Oudich

    2017-12-01

    Full Text Available We present a phononic crystal to achieve efficient manipulation of surface acoustic waves (SAW. The structure is made of finite phononic micro-ridges arranged periodically in a substrate surface. Each ridge is constructed by staking silicon and tungsten layers so that it behaves as one-dimensional phononic crystal which exhibits band gaps for elastic waves. The band gap allows the existence of resonance modes where the elastic energy is either confined within units in the free end of the ridge or the ones in contact with the substrate. We show that SAW interaction with localized modes in the free surface of the ridge gives rise to sharp attenuation in the SAW transmission, while the modes confined within the ridge/substrate interface cause broad band attenuations of SAW. Furthermore, we demonstrate that the coupling between the two kinds of modes within the band gap gives high SAW transmission amplitude in the form of Fano-like peaks with high quality factor. The structure could provide an interesting solution for accurate SAW control for sensing applications, for instance.

  12. Effect of Ge Addition on the Optical Band Gap and Refractive Index of Thermally Evaporated As2Se3 Thin Films

    Directory of Open Access Journals (Sweden)

    Pankaj Sharma

    2008-01-01

    Full Text Available The present paper reports the effect of Ge addition on the optical band gap and refractive index of As2Se3 thin films. Thin films of As2Se3 and (As2Se390Ge10 were prepared by thermal evaporation technique at base pressure 10−4 Pa. Optical band gap and refractive index were calculated by analyzing the transmission spectrum in the spectral range 400–1500 nm. The optical band gap decreases while the refractive index increases with the addition of Ge to As2Se3. The decrease of optical band gap has been explained on the basis of density of states; and the increase in refractive index has been explained on the basis increase in disorder in the system.

  13. First principles study of structural, electronic and optical properties of KCl crystal

    International Nuclear Information System (INIS)

    Chen, Z.J.; Xiao, H.Y.; Zu, X.T.

    2006-01-01

    The structural, electronic and optical properties of KCl crystal in B1, B2, B3 and T1 structures have been systematically studied using first-principle pseudopotential calculations. In addition, pressure-induced phase transition has also been investigated. It was found that when the pressure is below 2.8 GPa, the B1 structure is the most stable. Above 2.8 GPa KCl crystal will undergo a structural phase transition from the relatively open NaCl structure into the more dense CsCl atomic arrangement. Our results also suggested that at about 1.2 GPa structural phase transition from B3 to T1 will occur. When the pressure arrives at 39.9 GPa, the phase transition will occur from B2 to T1. In addition, we found KCl Crystal has indirect band gap in B2 structure and direct band gap in B1, B3 and T1 structures. The band gap value is the smallest in the T1 structure and is the largest in the B1 and B3 structures. Our calculations are found to be in good agreement with available experimental and theoretical results. The dielectric function and energy loss function of KCl crystal in four structures (B1, B2, B3 and T1) have been calculated as well as the anisotropy of the optical properties of KCl crystal in T1 structure

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  15. Influence of humidity on the graphene band gap

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  16. 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.

  17. 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....

  18. 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.

  19. Disorder-induced modification of the transmission of light through two-dimensional photonic crystals

    International Nuclear Information System (INIS)

    Beggs, D M; Kaliteevski, M A; Abram, R A; Cassagne, D; Albert, J P

    2005-01-01

    Disordered two-dimensional photonic crystals with a complete photonic band-gap have been investigated. Transmission and reflection spectra have been modelled for both ballistic and scattered light. The density of states and electromagnetic field profiles of disorder-induced localized states have also been calculated, for various levels of disorder. It is found that there is a threshold-like behaviour in the amount of disorder. Below the threshold, it is seen that there is a vanishing probability of disorder-induced localized states being introduced into the centre of the photonic band-gap, but that edge-states narrow the band-gap. Above the threshold, there is a non-zero probability of disorder-induced localized states throughout the photonic band-gap, and the modification of the transmission and reflection spectra due to disorder rapidly increases with increasing disorder

  20. Wind tunnel tests of modified cross, hemisflo, and disk-gap-band parachutes with emphasis in the transonic range

    Science.gov (United States)

    Foughner, J. T., Jr.; Alexander, W. C.

    1974-01-01

    Transonic wind-tunnel studies were conducted with modified cross, hemisflo, and disk-gap-band parachute models in the wake of a cone-cylinder shape forebody. The basic cross design was modified with the addition of a circumferential constraining band at the lower edge of the canopy panels. The tests covered a Mach number range of 0.3 to 1.2 and a dynamic pressure range from 479 Newtons per square meter to 5746 Newtons per square meter. The parachute models were flexible textile-type structures and were tethered to a rigid forebody with a single flexible riser. Different size models of the modified cross and disk-gap-band canopies were tested to evaluate scale effects. Model reference diameters were 0.30, 0.61, and 1.07 meters (1.0, 2.0, and 3.5 ft) for the modified cross; and nominal diameters of 0.25 and 0.52 meter (0.83 and 1.7 ft) for the disk-gap-band; and 0.55 meter (1.8 ft) for the hemisflo. Reefing information is presented for the 0.61-meter-diameter cross and the 0.52-meter-diameter disk-gap-band. Results are presented in the form of the variation of steady-state average drag coefficient with Mach number. General stability characteristics of each parachute are discussed. Included are comments on canopy coning, spinning, and fluttering motions.

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

    OpenAIRE

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

    2016-01-01

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

  2. 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.

  3. Mini-stop bands in single heterojunction photonic crystal waveguides

    KAUST Repository

    Shahid, N.; Amin, M.; Naureen, S.; Anand, S.

    2013-01-01

    Spectral characteristics of mini-stop bands (MSB) in line-defect photonic crystal (PhC) waveguides and in heterostructure PhC waveguides having one abrupt interface are investigated. Tunability of the MSB position by air-fill factor heterostructure PhC waveguides is utilized to demonstrate different filter functions, at optical communication wavelengths, ranging from resonance-like to wide band pass filters with high transmission. The narrowest filter realized has a resonance-like transmission peak with a full width at half maximum of 3.4 nm. These devices could be attractive for coarse wavelength selection (pass and drop) and for sensing applications. 2013 Copyright 2013 Author(s). This article is distributed under a Creative Commons Attribution 3.0 Unported License.

  4. Study of sub band gap absorption of Sn doped CdSe thin films

    International Nuclear Information System (INIS)

    Kaur, Jagdish; Rani, Mamta; Tripathi, S. K.

    2014-01-01

    The nanocrystalline thin films of Sn doped CdSe at different dopants concentration are prepared by thermal evaporation technique on glass substrate at room temperature. The effect of Sn doping on the optical properties of CdSe has been studied. A decrease in band gap value is observed with increase in Sn concentration. Constant photocurrent method (CPM) is used to study the absorption coefficient in the sub band gap region. Urbach energy has been obtained from CPM spectra which are found to increase with amount of Sn dopants. The refractive index data calculated from transmittance is used for the identification of oscillator strength and oscillator energy using single oscillator model which is found to be 7.7 and 2.12 eV, 6.7 and 2.5 eV for CdSe:Sn 1% and CdSe:Sn 5% respectively

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

    Directory of Open Access Journals (Sweden)

    E. Kasper

    2012-01-01

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

  6. Study of sub band gap absorption of Sn doped CdSe thin films

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Jagdish; Rani, Mamta [Department of Physics, Panjab University, Chandigarh- 160014 (India); Tripathi, S. K., E-mail: surya@pu.ac.in [Centre of Advanced Study in Physics, Panjab University, Chandigarh- 160014 (India)

    2014-04-24

    The nanocrystalline thin films of Sn doped CdSe at different dopants concentration are prepared by thermal evaporation technique on glass substrate at room temperature. The effect of Sn doping on the optical properties of CdSe has been studied. A decrease in band gap value is observed with increase in Sn concentration. Constant photocurrent method (CPM) is used to study the absorption coefficient in the sub band gap region. Urbach energy has been obtained from CPM spectra which are found to increase with amount of Sn dopants. The refractive index data calculated from transmittance is used for the identification of oscillator strength and oscillator energy using single oscillator model which is found to be 7.7 and 2.12 eV, 6.7 and 2.5 eV for CdSe:Sn 1% and CdSe:Sn 5% respectively.

  7. Surface origin and control of resonance Raman scattering and surface band gap in indium nitride

    International Nuclear Information System (INIS)

    Alarcón-Lladó, Esther; Brazzini, Tommaso; Ager, Joel W

    2016-01-01

    Resonance Raman scattering measurements were performed on indium nitride thin films under conditions where the surface electron concentration was controlled by an electrolyte gate. As the surface condition is tuned from electron depletion to accumulation, the spectral feature at the expected position of the ( E 1 , A 1 ) longitudinal optical (LO) near 590 cm −1 shifts to lower frequency. The shift is reversibly controlled with the applied gate potential, which clearly demonstrates the surface origin of this feature. The result is interpreted within the framework of a Martin double resonance, where the surface functions as a planar defect, allowing the scattering of long wavevector phonons. The allowed wavevector range, and hence the frequency, is modulated by the electron accumulation due to band gap narrowing. A surface band gap reduction of over 500 meV is estimated for the conditions of maximum electron accumulation. Under conditions of electron depletion, the full InN bandgap ( E g   =  0.65 eV) is expected at the surface. The drastic change in the surface band gap is expected to influence the transport properties of devices which utilize the surface electron accumulation layer. (paper)

  8. Surface origin and control of resonance Raman scattering and surface band gap in indium nitride

    Science.gov (United States)

    Alarcón-Lladó, Esther; Brazzini, Tommaso; Ager, Joel W.

    2016-06-01

    Resonance Raman scattering measurements were performed on indium nitride thin films under conditions where the surface electron concentration was controlled by an electrolyte gate. As the surface condition is tuned from electron depletion to accumulation, the spectral feature at the expected position of the (E 1, A 1) longitudinal optical (LO) near 590 cm-1 shifts to lower frequency. The shift is reversibly controlled with the applied gate potential, which clearly demonstrates the surface origin of this feature. The result is interpreted within the framework of a Martin double resonance, where the surface functions as a planar defect, allowing the scattering of long wavevector phonons. The allowed wavevector range, and hence the frequency, is modulated by the electron accumulation due to band gap narrowing. A surface band gap reduction of over 500 meV is estimated for the conditions of maximum electron accumulation. Under conditions of electron depletion, the full InN bandgap (E g  =  0.65 eV) is expected at the surface. The drastic change in the surface band gap is expected to influence the transport properties of devices which utilize the surface electron accumulation layer.

  9. Numerical study on characteristic of two-dimensional metal/dielectric photonic crystals

    Science.gov (United States)

    Zong, Yi-Xin; Xia, Jian-Bai; Wu, Hai-Bin

    2017-04-01

    An improved plan-wave expansion method is adopted to theoretically study the photonic band diagrams of two-dimensional (2D) metal/dielectric photonic crystals. Based on the photonic band structures, the dependence of flat bands and photonic bandgaps on two parameters (dielectric constant and filling factor) are investigated for two types of 2D metal/dielectric (M/D) photonic crystals, hole and cylinder photonic crystals. The simulation results show that band structures are affected greatly by these two parameters. Flat bands and bandgaps can be easily obtained by tuning these parameters and the bandgap width may reach to the maximum at certain parameters. It is worth noting that the hole-type photonic crystals show more bandgaps than the corresponding cylinder ones, and the frequency ranges of bandgaps also depend strongly on these parameters. Besides, the photonic crystals containing metallic medium can obtain more modulation of photonic bands, band gaps, and large effective refractive index, etc. than the dielectric/dielectric ones. According to the numerical results, the needs of optical devices for flat bands and bandgaps can be met by selecting the suitable geometry and material parameters. Project supported by the National Basic Research Program of China (Grant No. 2011CB922200) and the National Natural Science Foundation of China (Grant No. 605210010).

  10. Thiophene-fused tetracene diimide with low band gap and ambipolar behavior

    KAUST Repository

    Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Chi, Chunyan

    2011-01-01

    The first tetracene diimide derivative fused with four thiophene rings, TT-TDI, was synthesized by an FeCl3 mediated oxidative cyclodehydrogenation reaction. TT-TDI exhibited a low band gap of 1.52 eV and amphoteric redox behavior. TT-TDI also showed a liquid crystalline property and ambipolar charge transport in thin film field-effect transistors. © 2011 American Chemical Society.

  11. Thiophene-fused tetracene diimide with low band gap and ambipolar behavior

    KAUST Repository

    Ye, Qun

    2011-11-18

    The first tetracene diimide derivative fused with four thiophene rings, TT-TDI, was synthesized by an FeCl3 mediated oxidative cyclodehydrogenation reaction. TT-TDI exhibited a low band gap of 1.52 eV and amphoteric redox behavior. TT-TDI also showed a liquid crystalline property and ambipolar charge transport in thin film field-effect transistors. © 2011 American Chemical Society.

  12. Computational study on potassium picrate crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ju, Xue-Hai; Lu, Ya-Lin; Ma, Xiu-Fang; Xiao, He-Ming [Department of Chemistry, Nanjing University of Science and Technology, Nanjing, 210094 (China)

    2006-08-15

    DFT calculation at the B3LYP level was performed on crystalline potassium picrate. The frontier bands are slightly fluctuant. The energy gap between the highest occupied crystal orbital (HOCO) and the lowest unoccupied crystal orbital (LUCO) is 0.121 a.u. (3.29 eV). The carbon atoms that are connected with the nitro groups make up the narrow lower energy bands, with small contributions from nitro oxygen and phenol oxygen. The higher energy bands consist of orbitals from the nitro groups and carbon atom. The potassium bears almost 1 a.u. positive charge. The potassium forms ionic bonding with the phenol oxygen and the nitro oxygen at the same time. The crystal lattice energy is predicted to be -574.40 kJ/mol at the B3LYP level determined with the effective core pseudopotential HAYWSC-31G basis set for potassium and 6-31G** basis set for other atoms. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  13. Determination of the band gap of TiO2-Al2O3 films as a function of processing parameters

    International Nuclear Information System (INIS)

    Barajas-Ledesma, E.; Garcia-Benjume, M.L.; Espitia-Cabrera, I.; Ortiz-Gutierrez, M.; Espinoza-Beltran, F.J.; Mostaghimi, J.; Contreras-Garcia, M.E.

    2010-01-01

    In this work the study of band gap is based on the processing parameters and was calculated using the Indirect Transition Model. An experimental design was done, in order to have a sequence of 18 samples to analyze. The alumina doped titania thin films were prepared by combining electrophoretic deposition (EPD) with sputtering. The addition of alumina to the titania was with the purpose to reduce the band gap of the semiconductor. Several researches have tried to dope titania with other materials, because it has photocatalytic activity only in the UV spectrum. Then, reducing the band gap of the titania, it will have activity in the entire visible spectrum, and its applications increase considerably. Comparing with the adsorption line in the ultraviolet region for all the samples, the results show the adsorption edge for samples doped with fewer amounts of alumina shifts a little toward a lower energy region, leading to a band gap reduction.

  14. Unidirectional Wave Propagation in Low-Symmetric Colloidal Photonic-Crystal Heterostructures

    OpenAIRE

    Yannopapas, Vassilios

    2015-01-01

    We show theoretically that photonic crystals consisting of colloidal spheres exhibit unidirectional wave propagation and one-way frequency band gaps without breaking time-reversal symmetry via, e.g., the application of an external magnetic field or the use of nonlinear materials. Namely, photonic crystals with low symmetry such as the monoclinic crystal type considered here as well as with unit cells formed by the heterostructure of different photonic crystals show significant unidirectional ...

  15. Compositional dependence of the band-gap of Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wendav, Torsten, E-mail: wendav@physik.hu-berlin.de [AG Theoretische Optik & Photonik, Humboldt Universität zu Berlin, Newtonstr. 15, 12489 Berlin (Germany); Fischer, Inga A.; Oehme, Michael; Schulze, Jörg [Institut für Halbleitertechnik, Universität Stuttgart, Pfaffenwaldring 47, 70569 Stuttgart (Germany); Montanari, Michele; Zoellner, Marvin Hartwig; Klesse, Wolfgang [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Capellini, Giovanni [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Dipartimento di Scienze, Università Roma Tre, Viale Marconi 446, 00146 Roma (Italy); Driesch, Nils von den; Buca, Dan [Peter Grünberg Institute 9 (PGI 9) and JARA-Fundamentals of Future Information Technologies, Forschungszentrum Jülich, 52428 Jülich (Germany); Busch, Kurt [AG Theoretische Optik & Photonik, Humboldt Universität zu Berlin, Newtonstr. 15, 12489 Berlin (Germany); Max-Born-Institut, Max-Born-Str. 2 A, 12489 Berlin (Germany)

    2016-06-13

    The group-IV semiconductor alloy Ge{sub 1−x−y}Si{sub x}Sn{sub y} has recently attracted great interest due to its prospective potential for use in optoelectronics, electronics, and photovoltaics. Here, we investigate molecular beam epitaxy grown Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys lattice-matched to Ge with large Si and Sn concentrations of up to 42% and 10%, respectively. The samples were characterized in detail by Rutherford backscattering/channeling spectroscopy for composition and crystal quality, x-ray diffraction for strain determination, and photoluminescence spectroscopy for the assessment of band-gap energies. Moreover, the experimentally extracted material parameters were used to determine the SiSn bowing and to make predictions about the optical transition energy.

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

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  17. Experimental Study of Electronic Quantum Interference, Photonic Crystal Cavity, Photonic Band Edge Effects for Optical Amplification

    Science.gov (United States)

    2016-01-26

    AFRL-RV-PS- AFRL-RV-PS- TR-2016-0003 TR-2016-0003 EXPERIMENTAL STUDY OF ELECTRONIC QUANTUM INTERFERENCE , PHOTONIC CRYSTAL CAVITY, PHOTONIC BAND...EDGE EFFECTS FOR OPTICAL AMPLIFICATION Shawn-Yu Lin Rensselaer Polytechnic Institute 110 8th Street Troy, New York 12180 26 Jan 2016 Final Report...2014 – 11 Jan 2016 4. TITLE AND SUBTITLE Experimental Study of Electronic Quantum Interference , Photonic Crystal Cavity, Photonic Band Edge Effects

  18. Anisotropy and multi-band effects in weak-coupling superconductors

    International Nuclear Information System (INIS)

    Berger, T.L.

    1977-01-01

    The techniques of second quantization and thermodynamic Green functions are used to investigate energy gap anisotropy and multi-band effects in pure, single-crystal, weak-coupling superconductors. A generalized version of the standard Gorkov factorization is used to linearize the Green functions equations of motion. The effects of lattice periodicity and band structure are taken into account by means of Bloch wave expansions and Bloch transforms. A pairing selection rule is derived which indicates the possibility of pairing between single particle states belonging to different bands, as well as the usual Cooper pairing. It is shown that the interband gap parameter, which is coupled to the usual gap parameter by the Green functions equations of motion, can only contribute indirectly to the tunneling electric current and the thermodynamic potential. In the absence of interband pairing, the equations of motion lead to the usual BCS gap equation. Also, in the absence of interband pairing, the gap parameter is found to be equal to the diagonal matrix element of the superconductor pair potential between electronic Bloch states. An essentially temperature independent anisotropy function which contains all angular dependence of the gap is shown to evolve naturally from this formalism. The overall temperature dependence of the gap is investigated and it is found that with a change of temperature, the magnitude of the gap in different directions changes in the same ration. The ordinary Markowitz-Kadanoff model is shown to be inappropriate for the case of a multi-band superconductor and a generalized version of this model is introduced and discussed. A special case of this model is considered which leads to gap discontinuities at Brillouin zone boundaries

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

    Science.gov (United States)

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

    2017-11-01

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

  20. 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.