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Sample records for absolute band gap

  1. Design of two-dimensional photonic crystals with large absolute band gaps using a genetic algorithm

    NASA Astrophysics Data System (ADS)

    Shen, Linfang; Ye, Zhuo; He, Sailing

    2003-07-01

    A two-stage genetic algorithm (GA) with a floating mutation probability is developed to design a two-dimensional (2D) photonic crystal of a square lattice with the maximal absolute band gap. The unit cell is divided equally into many square pixels, and each filling pattern of pixels with two dielectric materials corresponds to a chromosome consisting of binary digits 0 and 1. As a numerical example, the two-stage GA gives a 2D GaAs structure with a relative width of the absolute band gap of about 19%. After further optimization, a new 2D GaAs photonic crystal is found with an absolute band gap much larger than those reported before.

  2. Photonic band gap structure simulator

    DOEpatents

    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.

  3. Direct Band Gap Wurtzite Gallium Phosphide Nanowires

    PubMed Central

    2013-01-01

    The main challenge for light-emitting diodes is to increase the efficiency in the green part of the spectrum. Gallium phosphide (GaP) with the normal cubic crystal structure has an indirect band gap, which severely limits the green emission efficiency. Band structure calculations have predicted a direct band gap for wurtzite GaP. Here, we report the fabrication of GaP nanowires with pure hexagonal crystal structure and demonstrate the direct nature of the band gap. We observe strong photoluminescence at a wavelength of 594 nm with short lifetime, typical for a direct band gap. Furthermore, by incorporation of aluminum or arsenic in the GaP nanowires, the emitted wavelength is tuned across an important range of the visible light spectrum (555–690 nm). This approach of crystal structure engineering enables new pathways to tailor materials properties enhancing the functionality. PMID:23464761

  4. Narrow band gap amorphous silicon semiconductors

    DOEpatents

    Madan, A.; Mahan, A.H.

    1985-01-10

    Disclosed is a narrow band gap amorphous silicon semiconductor comprising an alloy of amorphous silicon and a band gap narrowing element selected from the group consisting of Sn, Ge, and Pb, with an electron donor dopant selected from the group consisting of P, As, Sb, Bi and N. The process for producing the narrow band gap amorphous silicon semiconductor comprises the steps of forming an alloy comprising amorphous silicon and at least one of the aforesaid band gap narrowing elements in amount sufficient to narrow the band gap of the silicon semiconductor alloy below that of amorphous silicon, and also utilizing sufficient amounts of the aforesaid electron donor dopant to maintain the amorphous silicon alloy as an n-type semiconductor.

  5. Acoustic Band Gap Formation in Metamaterials

    NASA Astrophysics Data System (ADS)

    Elford, D. P.; Chalmers, L.; Kusmartsev, F.; Swallowe, G. M.

    We present several new classes of metamaterials and/or locally resonant sonic crystal that are comprised of complex resonators. The proposed systems consist of multiple resonating inclusion that correspond to different excitation frequencies. This causes the formation of multiple overlapped resonance band gaps. We demonstrate theoretically and experimentally that the individual band gaps achieved, span a far greater range (≈ 2kHz) than previously reported cases. The position and width of the band gap is independent of the crystal's lattice constant and forms in the low frequency regime significantly below the conventional Bragg band gap. The broad envelope of individual resonance band gaps is attractive for sound proofing applications and furthermore the devices can be tailored to attenuate lower or higher frequency ranges, i.e., from seismic to ultrasonic.

  6. Acoustic Band Gap Formation in Metamaterials

    NASA Astrophysics Data System (ADS)

    Elford, D. P.; Chalmers, L.; Kusmartsev, F.; Swallowe, G. M.

    2011-03-01

    We present several new classes of metamaterials and/or locally resonant sonic crystal that are comprised of complex resonators. The proposed systems consist of multiple resonating inclusion that correspond to different excitation frequencies. This causes the formation of multiple overlapped resonance band gaps. We demonstrate theoretically and experimentally that the individual band gaps achieved, span a far greater range (≈ 2kHz) than previously reported cases. The position and width of the band gap is independent of the crystal's lattice constant and forms in the low frequency regime significantly below the conventional Bragg band gap. The broad envelope of individual resonance band gaps is attractive for sound proofing applications and furthermore the devices can be tailored to attenuate lower or higher frequency ranges, i.e., from seismic to ultrasonic.

  7. Optically tuneable blue phase photonic band gaps

    SciTech Connect

    Liu, H.-Y.; Wang, C.-T.; Hsu, C.-Y.; Lin, T.-H.; Liu, J.-H.

    2010-03-22

    This study investigates an optically switchable band gap of photonic crystal that is based on an azobenzene-doped liquid crystal blue phase. The trans-cis photoisomerization of azobenzene deforms the cubic unit cell of the blue phase and shifts the photonic band gap. The fast back-isomerization of azobenzene was induced by irradiation with different wavelengths light. The crystal structure is verified using Kossel diffraction diagram. An optically addressable blue phase display, based on Bragg reflection from the photonic band gap, is also demonstrated. The tunable ranges are around red, green, and blue wavelengths and exhibit a bright saturated color.

  8. Multi Band Gap High Efficiency Converter (RAINBOW)

    NASA Technical Reports Server (NTRS)

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

    1997-01-01

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

  9. Semiconductor band gap localization via Gaussian function

    NASA Astrophysics Data System (ADS)

    Ullrich, B.; Brown, G. J.; Xi, H.

    2012-10-01

    To determine the band gap of bulk semiconductors with transmission spectroscopy alone is considered as an extremely difficult task because in the higher energy range, approaching and exceeding the band gap energy, the material is opaque yielding no useful data to be recorded. In this paper, by investigating the transmission of industrial GaSb wafers with a thickness of 500 µm, we demonstrate how these obstacles of transmission spectroscopy can be overcome. The key is the transmission spectrums’ derivative, which coincides with the Gaussian function. This understanding can be used to transfer Beers’ law in an integral form opening the pathway of band gap determinations based on mathematical parameters only. The work also emphasizes the correlation between the thermal band gap variation and Debye temperature.

  10. Band gaps in bubble phononic crystals

    NASA Astrophysics Data System (ADS)

    Leroy, V.; Bretagne, A.; Lanoy, M.; Tourin, A.

    2016-12-01

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

  11. Modification in band gap of zirconium complexes

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  12. Sizable band gap in organometallic topological insulator

    NASA Astrophysics Data System (ADS)

    Derakhshan, V.; Ketabi, S. A.

    2017-01-01

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

  13. Nonreciprocal microwave band-gap structures.

    PubMed

    Belov, P A; Tretyakov, S A; Viitanen, A J

    2002-07-01

    An electrically controlled nonreciprocal electromagnetic band-gap material is proposed and studied. The new material is a periodic three-dimensional regular lattice of small magnetized ferrite spheres. In this paper, we consider plane electromagnetic waves in this medium and design an analytical model for the material parameters. An analytical solution for plane-wave reflection from a planar interface is also presented. In the proposed material, a new electrically controlled stop band appears for one of the two circularly polarized eigenwaves in a frequency band around the ferrimagnetic resonance frequency. This frequency can be well below the usual lattice band gap, which allows the realization of rather compact structures. The main properties of the material are outlined.

  14. Absolute integrated intensity for the nu-1 sulfur dioxide band

    NASA Technical Reports Server (NTRS)

    Pilon, P. J.; Young, C.

    1976-01-01

    The absolute integrated intensity of the IR vibration-rotation nu-1 SO2 band was measured using the linear portion of the curve of growth. Infrared spectroscopic-absorption cell measurements were performed on sulfur dioxide at partial pressures less than 0.15 torr with nitrogen added to give a total pressure of 705 torr, the path length being 4 mm. The absolute integrated intensity was determined to be 112.0 plus or minus 2.6/cm/sq (atm cm) at 296 K at the 95% confidence level.

  15. Plasmonic band gap cavities on biharmonic gratings

    NASA Astrophysics Data System (ADS)

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

    2008-05-01

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

  16. Sculpting the band gap: a computational approach

    PubMed Central

    Prasai, Kiran; Biswas, Parthapratim; Drabold, D. A.

    2015-01-01

    Materials with optimized band gap are needed in many specialized applications. In this work, we demonstrate that Hellmann-Feynman forces associated with the gap states can be used to find atomic coordinates that yield desired electronic density of states. Using tight-binding models, we show that this approach may be used to arrive at electronically designed models of amorphous silicon and carbon. We provide a simple recipe to include a priori electronic information in the formation of computer models of materials, and prove that this information may have profound structural consequences. The models are validated with plane-wave density functional calculations. PMID:26490203

  17. Sculpting the band gap: a computational approach

    NASA Astrophysics Data System (ADS)

    Prasai, Kiran; Biswas, Parthapratim; Drabold, D. A.

    2015-10-01

    Materials with optimized band gap are needed in many specialized applications. In this work, we demonstrate that Hellmann-Feynman forces associated with the gap states can be used to find atomic coordinates that yield desired electronic density of states. Using tight-binding models, we show that this approach may be used to arrive at electronically designed models of amorphous silicon and carbon. We provide a simple recipe to include a priori electronic information in the formation of computer models of materials, and prove that this information may have profound structural consequences. The models are validated with plane-wave density functional calculations.

  18. Band gap opening in methane intercalated graphene.

    PubMed

    Hargrove, Jasmine; Shashikala, H B Mihiri; Guerrido, Lauren; Ravi, Natarajan; Wang, Xiao-Qian

    2012-08-07

    Recent experimental work has demonstrated production of quasi-free-standing graphene by methane intercalation. The intercalation weakens the coupling of adjacent graphene layers and yields Dirac fermion behaviour of monolayer graphene. We have investigated the electronic characteristics of a methane intercepted graphene bilayer under a perpendicularly applied electric field. Evolution of the band structure of intercalated graphene as a function of the bias is studied by means of density-functional theory including interlayer van der Waals interactions. The implications of controllable band gap opening in methane-intercalated graphene for future device applications are discussed.

  19. Fabrication of photonic band gap materials

    DOEpatents

    Constant, Kristen; Subramania, Ganapathi S.; Biswas, Rana; Ho, Kai-Ming

    2002-01-15

    A method for forming a periodic dielectric structure exhibiting photonic band gap effects includes forming a slurry of a nano-crystalline ceramic dielectric or semiconductor material and monodisperse polymer microspheres, depositing a film of the slurry on a substrate, drying the film, and calcining the film to remove the polymer microspheres therefrom. The film may be cold-pressed after drying and prior to calcining. The ceramic dielectric or semiconductor material may be titania, and the polymer microspheres may be polystyrene microspheres.

  20. Landsat-5 TM reflective-band absolute radiometric calibration

    USGS Publications Warehouse

    Chander, G.; Helder, D.L.; Markham, B.L.; Dewald, J.D.; Kaita, E.; Thome, K.J.; Micijevic, E.; Ruggles, T.A.

    2004-01-01

    The Landsat-5 Thematic Mapper (TM) sensor provides the longest running continuous dataset of moderate spatial resolution remote sensing imagery, dating back to its launch in March 1984. Historically, the radiometric calibration procedure for this imagery used the instrument's response to the Internal Calibrator (IC) on a scene-by-scene basis to determine the gain and offset of each detector. Due to observed degradations in the IC, a new procedure was implemented for U.S.-processed data in May 2003. This new calibration procedure is based on a lifetime radiometric calibration model for the instrument's reflective bands (1-5 and 7) and is derived, in part, from the IC response without the related degradation effects and is tied to the cross calibration with the Landsat-7 Enhanced Thematic Mapper Plus. Reflective-band absolute radiometric accuracy of the instrument tends to be on the order of 7% to 10%, based on a variety of calibration methods.

  1. Optical band gaps of organic semiconductor materials

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

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

    2014-08-01

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

  3. Plasmonic band gap engineering of plasmon-exciton coupling.

    PubMed

    Karademir, Ertugrul; Balci, Sinan; Kocabas, Coskun; Aydinli, Atilla

    2014-10-01

    Controlling plasmon-exciton coupling through band gap engineering of plasmonic crystals is demonstrated in the Kretschmann configuration. When the flat metal surface is textured with a sinusoidal grating only in one direction, using laser interference lithography, it exhibits a plasmonic band gap because of the Bragg scattering of surface plasmon polaritons on the plasmonic crystals. The contrast of the grating profile determines the observed width of the plasmonic band gap and hence allows engineering of the plasmonic band gap. In this work, resonant coupling between the molecular resonance of a J-aggregate dye and the plasmonic resonance of a textured metal film is extensively studied through plasmonic band gap engineering. Polarization dependent spectroscopic reflection measurements probe the spectral overlap occurring between the molecular resonance and the plasmonic resonance. The results indicate that plasmon-exciton interaction is attenuated in the band gap region along the grating direction.

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

    SciTech Connect

    Meng, Fei; Huang, Xiaodong; Jia, Baohua

    2015-12-01

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

  5. Effect of size of silica microspheres on photonic band gap

    SciTech Connect

    Dhiman, N. Sharma, A. Gathania, A. K.; Singh, B. P.

    2014-04-24

    In present work photonic crystals of different size of silica microspheres have been fabricated. The optical properties of these developed photonic crystals have been studied using UV-visible spectroscopy. UV-visible spectroscopy shows that they have photonic band gap that can be tuned in visible and infrared regime by changing the size of silica microspheres. The photonic band gap structures of these photonic crystals have been calculated using MIT photonic band gap package. It also reveals that with the increase in size of silica microspheres the photonic band gap shifts to lower energy region.

  6. Improvement of band gap profile in Cu(InGa)Se{sub 2} solar cells through rapid thermal annealing

    SciTech Connect

    Chen, D.S.; Yang, J.; Yang, Z.B.; Xu, F.; Du, H.W.; Ma, Z.Q.

    2014-06-01

    Highlights: • Proper RTA treatment can effectively optimize band gap profile to more expected level. • Inter-diffusion of atoms account for the improvement of the graded band gap profile. • The variation of the band gap profile created an absolute gain in the efficiency by 1.22%. - Abstract: In the paper, the effect of rapid thermal annealing on non-optimal double-graded band gap profiles was investigated by using X-ray photoelectron spectroscopy and capacitance–voltage measurement techniques. Experimental results revealed that proper rapid thermal annealing treatment can effectively improve band gap profile to more optimal level. The annealing treatment could not only reduce the values of front band gap and minimum band gap, but also shift the position of the minimum band gap toward front electrode and enter into space charge region. In addition, the thickness of Cu(InGa)Se{sub 2} thin film decreased by 25 nm after rapid thermal annealing treatment. All of these modifications were attributed to the inter-diffusion of atoms during thermal treatment process. Simultaneously, the variation of the band gap profile created an absolute gain in the efficiency by 1.22%, short-circuit current density by 2.16 mA/cm{sup 2} and filled factor by 3.57%.

  7. Tunable and sizable band gap in silicene by surface adsorption

    PubMed Central

    Quhe, Ruge; Fei, Ruixiang; Liu, Qihang; Zheng, Jiaxin; Li, Hong; Xu, Chengyong; Ni, Zeyuan; Wang, Yangyang; Yu, Dapeng; Gao, Zhengxiang; Lu, Jing

    2012-01-01

    Opening a sizable band gap without degrading its high carrier mobility is as vital for silicene as for graphene to its application as a high-performance field effect transistor (FET). Our density functional theory calculations predict that a band gap is opened in silicene by single-side adsorption of alkali atom as a result of sublattice or bond symmetry breaking. The band gap size is controllable by changing the adsorption coverage, with an impressive maximum band gap up to 0.50 eV. The ab initio quantum transport simulation of a bottom-gated FET based on a sodium-covered silicene reveals a transport gap, which is consistent with the band gap, and the resulting on/off current ratio is up to 108. Therefore, a way is paved for silicene as the channel of a high-performance FET. PMID:23152944

  8. Edge configurational effect on band gaps in graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Deepika, Kumar, T. J. Dhilip; Shukla, Alok; Kumar, Rakesh

    2015-03-01

    In this article, we put forward a resolution to the prolonged ambiguity in energy band gaps between theory and experiments of fabricated graphene nanoribbons (GNRs). Band structure calculations using density functional theory are performed on oxygen-passivated GNR supercells of customized edge configurations without disturbing the inherent s p2 hybridization of carbon atoms. Direct band gaps are observed for both zigzag and armchair GNRs, consistent with the experimental reports. In addition, we provide an explanation of the experimentally observed scattered band gap values of GNRs as a function of width in a crystallographic orientation on the basis of edge configurations. We conclude that edge configurations of GNRs significantly contribute to band gap formation in addition to its width for a given crystallographic orientation and will play a crucial role in band gap engineering of GNRs for future research on fabrication of nanoelectronic devices.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  10. Tuning Ferritin's Band Gap through Mixed Metal Oxide Nanoparticle Formation.

    PubMed

    Olsen, Cameron; Embley, Jacob; Hansen, Kameron; Henrichsen, Andrew; Peterson, J; Colton, John S; Watt, Richard

    2017-03-23

    This study uses the formation of a mixed metal oxide inside ferritin to tune the band gap energy of the ferritin mineral. The mixed metal oxide is composed of both Co and Mn, and is formed by reacting aqueous Co2+ with MnO4- in the presence of apoferritin. Altering the ratio between the two reactants allowed for controlled tuning of the band gap energies. All minerals formed were indirect band gap materials, with indirect band gap energies ranging from 0.52 to 1.30 eV. The direct transitions were also measured, with energy values ranging from 2.71 to 3.11 eV. Tuning the band gap energies of these samples changes the wavelengths absorbed by each mineral, increasing ferritin's potential in solar-energy harvesting. Additionally, the success of using MnO4- in ferritin mineral formation opens the possibility for new mixed metal oxide cores inside ferritin.

  11. Band gap scaling laws in group IV nanotubes

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

  12. Band gap scaling laws in group IV nanotubes.

    PubMed

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

    2017-03-17

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

  13. All-optical band engineering of gapped Dirac materials

    NASA Astrophysics Data System (ADS)

    Kibis, O. V.; Dini, K.; Iorsh, I. V.; Shelykh, I. A.

    2017-03-01

    We demonstrate theoretically that the interaction of electrons in gapped Dirac materials (gapped graphene and transition-metal dichalchogenide monolayers) with a strong off-resonant electromagnetic field (dressing field) substantially renormalizes the band gaps and the spin-orbit splitting. Moreover, the renormalized electronic parameters drastically depend on the field polarization. Namely, a linearly polarized dressing field always decreases the band gap (and, particularly, can turn the gap into zero), whereas a circularly polarized field breaks the equivalence of valleys in different points of the Brillouin zone and can both increase and decrease corresponding band gaps. As a consequence, the dressing field can serve as an effective tool to control spin and valley properties of the materials and be potentially exploited in optoelectronic applications.

  14. Locally resonant periodic structures with low-frequency band gaps

    NASA Astrophysics Data System (ADS)

    Cheng, Zhibao; Shi, Zhifei; Mo, Y. L.; Xiang, Hongjun

    2013-07-01

    Presented in this paper are study results of dispersion relationships of periodic structures composited of concrete and rubber, from which the frequency band gap can be found. Two models with fixed or free boundary conditions are proposed to approximate the bound frequencies of the first band gap. Studies are conducted to investigate the low-frequency and directional frequency band gaps for their application to engineering. The study finds that civil engineering structures can be designed to block harmful waves, such as earthquake disturbance.

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

    SciTech Connect

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

    2014-04-21

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

  16. Modeling of Photonic Band Gap Crystals and Applications

    SciTech Connect

    El-Kady, Ihab Fathy

    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

  17. Electronic properties of Janus silicene: new direct band gap semiconductors

    NASA Astrophysics Data System (ADS)

    Sun, Minglei; Ren, Qingqiang; Wang, Sake; Yu, Jin; Tang, Wencheng

    2016-11-01

    Using first-principles calculations, we propose a new class of materials, Janus silicene, which is silicene asymmetrically functionalized with hydrogen and halogen atoms. Formation energies and phonon dispersion indicated that all the Janus silicene systems exhibit good kinetic stability. As compared to silicane, all Janus silicene systems are direct band gap semiconductors. The band gap of Janus silicene can take any value between 1.91 and 2.66 eV by carefully tuning the chemical composition of the adatoms. In addition, biaxial elastic strain can further reduce the band gap to 1.11 eV (under a biaxial tensile strain up to 10%). According to moderate direct band gap, these materials demonstrate potential applications in optoelectronics, exhibiting a very wide spectral range, and they are expected to be highly stable under ambient conditions.

  18. Energy bands and gaps near an impurity

    NASA Astrophysics Data System (ADS)

    Mihóková, E.; Schulman, L. S.

    2016-10-01

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

  19. Wind Tunnel Testing of Various Disk-Gap-Band Parachutes

    NASA Technical Reports Server (NTRS)

    Cruz, Juan R.; Mineck, Raymond E.; Keller, Donald F.; Bobskill, Maria V.

    2003-01-01

    Two Disk-Gap-Band model parachute designs were tested in the NASA Langley Transonic Dynamics Tunnel. The purposes of these tests were to determine the drag and static stability coefficients of these two model parachutes at various subsonic Mach numbers in support of the Mars Exploration Rover mission. The two model parachute designs were designated 1.6 Viking and MPF. These model parachute designs were chosen to investigate the tradeoff between drag and static stability. Each of the parachute designs was tested with models fabricated from MIL-C-7020 Type III or F-111 fabric. The reason for testing model parachutes fabricated with different fabrics was to evaluate the effect of fabric permeability on the drag and static stability coefficients. Several improvements over the Viking-era wind tunnel tests were implemented in the testing procedures and data analyses. Among these improvements were corrections for test fixture drag interference and blockage effects, and use of an improved test fixture for measuring static stability coefficients. The 1.6 Viking model parachutes had drag coefficients from 0.440 to 0.539, while the MPF model parachutes had drag coefficients from 0.363 to 0.428. The 1.6 Viking model parachutes had drag coefficients 18 to 22 percent higher than the MPF model parachute for equivalent fabric materials and test conditions. Model parachutes of the same design tested at the same conditions had drag coefficients approximately 11 to 15 percent higher when manufactured from F-111 fabric as compared to those fabricated from MIL-C-7020 Type III fabric. The lower fabric permeability of the F-111 fabric was the source of this difference. The MPF model parachutes had smaller absolute statically stable trim angles of attack as compared to the 1.6 Viking model parachutes for equivalent fabric materials and test conditions. This was attributed to the MPF model parachutes larger band height to nominal diameter ratio. For both designs, model parachutes

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

    PubMed

    Samuels, Alexander J; Carey, J David

    2013-03-26

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

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

    NASA Astrophysics Data System (ADS)

    Sahu, Sivabrata; Rout, G. C.

    2017-03-01

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

  2. Band Gap Engineering of Two-Dimensional Nitrogene

    PubMed Central

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

    2016-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

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

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

    SciTech Connect

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

    2014-04-14

    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.

  5. Massive band gap variation in layered oxides through cation ordering

    NASA Astrophysics Data System (ADS)

    Balachandran, Prasanna V.; Rondinelli, James M.

    2015-01-01

    The electronic band gap is a fundamental material parameter requiring control for light harvesting, conversion and transport technologies, including photovoltaics, lasers and sensors. Although traditional methods to tune band gaps rely on chemical alloying, quantum size effects, lattice mismatch or superlattice formation, the spectral variation is often limited to <1 eV, unless marked changes to composition or structure occur. Here we report large band gap changes of up to 200% or ~2 eV without modifying chemical composition or use of epitaxial strain in the LaSrAlO4 Ruddlesden-Popper oxide. First-principles calculations show that ordering electrically charged [LaO]1+ and neutral [SrO]0 monoxide planes imposes internal electric fields in the layered oxides. These fields drive local atomic displacements and bond distortions that control the energy levels at the valence and conduction band edges, providing a path towards electronic structure engineering in complex oxides.

  6. Light-induced gaps in semiconductor band-to-band transitions.

    PubMed

    Vu, Q T; Haug, H; Mücke, O D; Tritschler, T; Wegener, M; Khitrova, G; Gibbs, H M

    2004-05-28

    We observe a triplet around the third harmonic of the semiconductor band gap when exciting 50-100 nm thin GaAs films with 5 fs pulses at 3 x 10(12) W/cm(2). The comparison with solutions of the semiconductor Bloch equations allows us to interpret the observed peak structure as being due to a two-band Mollow triplet. This triplet in the optical spectrum is a result of light-induced gaps in the band structure, which arise from coherent band mixing. The theory is formulated for full tight-binding bands and uses no rotating-wave approximation.

  7. Quantum electrodynamics near a photonic band-gap

    NASA Astrophysics Data System (ADS)

    Liu, Yanbing; Houck, Andrew

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

  8. Energy band gaps in graphene nanoribbons with corners

    NASA Astrophysics Data System (ADS)

    Szczȩśniak, Dominik; Durajski, Artur P.; Khater, Antoine; Ghader, Doried

    2016-05-01

    In the present paper, we study the relation between the band gap size and the corner-corner length in representative chevron-shaped graphene nanoribbons (CGNRs) with 120° and 150° corner edges. The direct physical insight into the electronic properties of CGNRs is provided within the tight-binding model with phenomenological edge parameters, developed against recent first-principle results. We show that the analyzed CGNRs exhibit inverse relation between their band gaps and corner-corner lengths, and that they do not present a metal-insulator transition when the chemical edge modifications are introduced. Our results also suggest that the band gap width for the CGNRs is predominantly governed by the armchair edge effects, and is tunable through edge modifications with foreign atoms dressing.

  9. Prelaunch absolute radiometric calibration of the reflective bands on the LANDSAT-4 protoflight Thematic Mapper

    NASA Technical Reports Server (NTRS)

    Barker, J. L.; Ball, D. L.; Leung, K. C.; Walker, J. A.

    1984-01-01

    The results of the absolute radiometric calibration of the LANDSAT 4 thematic mapper, as determined during pre-launch tests with a 122 cm integrating sphere, are presented. Detailed results for the best calibration of the protoflight TM are given, as well as summaries of other tests performed on the sensor. The dynamic range of the TM is within a few per cent of that required in all bands, except bands 1 and 3. Three detectors failed to pass the minimum SNR specified for their respective bands: band 5, channel 3 (dead), band 2, and channels 2 and 4 (noisy or slow response). Estimates of the absolute calibration accuracy for the TM show that the detectors are typically calibrated to 5% absolute error for the reflective bands; 10% full-scale accuracy was specified. Ten tests performed to transfer the detector absolute calibration to the internal calibrator show a 5% range at full scale in the transfer calibration; however, in two cases band 5 showed a 10% and a 7% difference.

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

    PubMed Central

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

    2016-01-01

    In this paper, the structural and electronic properties of polythiophene and polyprrrole-based systems have been investigated using first-principles calculations both in periodic and oligomer forms. Of particular interest is the band gap modulation through substitutions and bilayer formation. Specifically, S has been substituted by Se and Te in polythiophene, leading to polyseleophene and polytellurophene, respectively, and N has been substituted by P and As in polypyrrole. The values obtained of the binding energy suggest that all the systems studied can be realized experimentally. Stacking (bilayer formation) of pure polythiophene, polypyrrole and their derivatives leads to linear suppression of the band gap or HOMO-LUMO gap as a function of the stacking. Mixed bilayers, including one formed from polythiophene on top of polypyrrole, have also been considered. Overall, a wide range of band gaps can be achieved through substitutions and stacking. Hybrid (B3LYP) calculations also suggest the same trend in the band gap as PBE calculations. Trends in the binding energy are similar for both periodic and molecular calculations. In addition, Γ-point phonon calculations were performed in order to check the stability of selected systems. PMID:27827393

  11. Optimization of band gap in Ni-substituted magnetite nanoparticles

    NASA Astrophysics Data System (ADS)

    Rana, Geeta; Johri, Umesh C.

    2013-06-01

    The excellent biocompatibility and magnetic properties of magnetite nanoparticles have encouraged a tremendous amount of research in the last decade. Lots of work has been reported on their magnetic and electric properties but little work is done to study the optical properties (band gap). In the present work Ni is substituted with varying concentration in magnetite nanoparticles. XRD patterns confirm their spinel phase and particle size is estimated using TEM. The UV-visible reflectance and Kubelka-Munk function plot gives the optical band gap of NixFe1-xFe2O4 which is found to be decreasing with respect to the pure magnetite samples.

  12. HAC: Band Gap, Photoluminescence, and Optical/Near-Infrared Absorption

    NASA Technical Reports Server (NTRS)

    Witt, Adolf N.; Ryutov, Dimitri; Furton, Douglas G.

    1996-01-01

    We report results of laboratory measurements which illustrate the wide range of physical properties found among hydrogenated amorphous carbon (HAC) solids. Within this range, HAC can match quantitatively the astronomical phenomena ascribed to carbonaceous coatings on interstellar grains. We find the optical band gap of HAC to be well correlated with other physical properties of HAC of astronomical interest, and conclude that interstellar HAC must be fairly hydrogen-rich with a band gap of E(sub g) is approx. greater than 2.0 eV.

  13. Special purpose modes in photonic band gap fibers

    DOEpatents

    Spencer, James; Noble, Robert; Campbell, Sara

    2013-04-02

    Photonic band gap fibers are described having one or more defects suitable for the acceleration of electrons or other charged particles. Methods and devices are described for exciting special purpose modes in the defects including laser coupling schemes as well as various fiber designs and components for facilitating excitation of desired modes. Results are also presented showing effects on modes due to modes in other defects within the fiber and due to the proximity of defects to the fiber edge. Techniques and devices are described for controlling electrons within the defect(s). Various applications for electrons or other energetic charged particles produced by such photonic band gap fibers are also described.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  15. New insights into the opening band gap of graphene oxides

    NASA Astrophysics Data System (ADS)

    Tran, Ngoc Thanh Thuy; Lin, Shih-Yang; Lin, Ming-Fa

    Electronic properties of oxygen absorbed few-layer graphenes are investigated using first-principle calculations. They are very sensitive to the changes in the oxygen concentration, number of graphene layer, and stacking configuration. The feature-rich band structures exhibit the destruction or distortion of the Dirac cone, opening of band gap, anisotropic energy dispersions, O- and (C,O)-dominated energy dispersions, and extra critical points. The band decomposed charge distributions reveal the π-bonding dominated energy gap. The orbital-projected density of states (DOS) have many special structures mainly coming from a composite energy band, the parabolic and partially flat ones. The DOS and spatial charge distributions clearly indicate the critical orbital hybridizations in O-O, C-O and C-C bonds, being responsible for the diversified properties. All of the few-layer graphene oxides are semi-metals except for the semiconducting monolayer ones.

  16. Tuning the electronic band gap of graphene by oxidation

    SciTech Connect

    Dabhi, Shweta D.; Jha, Prafulla K.

    2015-06-24

    Using plane wave pseudo potential density functional theory, we studied the electronic properties of graphene with different C:O ratio. In this work, we discussed the changes that occur in electronic band structure of graphene functionalized with different amount of epoxy group. Electronic band gap depends on C:O ratio in graphene oxide containing epoxy group. The present work will have its implication for making devices with tunable electronic properties by oxidizing graphene.

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

    PubMed

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

    2015-05-27

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

  18. Band gap engineering via doping: A predictive approach

    NASA Astrophysics Data System (ADS)

    Andriotis, Antonis N.; Menon, Madhu

    2015-03-01

    We employ an extension of Harrison's theory at the tight binding level of approximation to develop a predictive approach for band gap engineering involving isovalent doping of wide band gap semiconductors. Our results indicate that reasonably accurate predictions can be achieved at qualitative as well as quantitative levels. The predictive results were checked against ab initio ones obtained at the level of DFT/SGGA + U approximation. The minor disagreements between predicted and ab initio results can be attributed to the electronic processes not incorporated in Harrison's theory. These include processes such as the conduction band anticrossing [Shan et al., Phys. Rev. Lett. 82, 1221 (1999); Walukiewicz et al., Phys. Rev. Lett. 85, 1552 (2000)] and valence band anticrossing [Alberi et al., Phys. Rev. B 77, 073202 (2008); Appl. Phys. Lett. 92, 162105 (2008); Appl. Phys. Lett. 91, 051909 (2007); Phys. Rev. B 75, 045203 (2007)], as well as the multiorbital rehybridization. Another cause of disagreement between the results of our predictive approach and the ab initio ones is shown to be the result of the shift of Fermi energy within the impurity band formed at the edge of the valence band maximum due to rehybridization. The validity of our approach is demonstrated with example applications for the systems GaN1-xSbx, GaP1-xSbx, AlSb1-xPx, AlP1-xSbx, and InP1-xSbx.

  19. Electroluminescence from indirect band gap semiconductor ReS2

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

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

  20. Dipole-allowed direct band gap silicon superlattices

    PubMed Central

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

    2015-01-01

    Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable pure-silicon superlattice structures that can serve as promising materials for solar cell applications and can lead to the realization of pure Si-based optoelectronic devices. The structures are almost identical to that of bulk Si except that defective layers are intercalated in the diamond lattice. The superlattices exhibit dipole-allowed direct band gaps as well as indirect band gaps, providing ideal conditions for the investigation of a direct-to-indirect band gap transition. The fact that almost all structural portions of the superlattices originate from bulk Si warrants their stability and good lattice matching with bulk Si. Through first-principles molecular dynamics simulations, we confirmed their thermal stability and propose a possible method to synthesize the defective layer through wafer bonding. PMID:26656482

  1. Dipole-allowed direct band gap silicon superlattices

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable pure-silicon superlattice structures that can serve as promising materials for solar cell applications and can lead to the realization of pure Si-based optoelectronic devices. The structures are almost identical to that of bulk Si except that defective layers are intercalated in the diamond lattice. The superlattices exhibit dipole-allowed direct band gaps as well as indirect band gaps, providing ideal conditions for the investigation of a direct-to-indirect band gap transition. The fact that almost all structural portions of the superlattices originate from bulk Si warrants their stability and good lattice matching with bulk Si. Through first-principles molecular dynamics simulations, we confirmed their thermal stability and propose a possible method to synthesize the defective layer through wafer bonding.

  2. Continuously controlled optical band gap in oxide semiconductor thin films

    SciTech Connect

    Herklotz, Andreas; Rus, Stefania Florina; Ward, Thomas Zac

    2016-02-02

    The optical band gap of the prototypical semiconducting oxide SnO2 is shown to be continuously controlled through single axis lattice expansion of nanometric films induced by low-energy helium implantation. While traditional epitaxy-induced strain results in Poisson driven multidirectional lattice changes shown to only allow discrete increases in bandgap, we find that a downward shift in the band gap can be linearly dictated as a function of out-of-plane lattice expansion. Our experimental observations closely match density functional theory that demonstrates that uniaxial strain provides a fundamentally different effect on the band structure than traditional epitaxy-induced multiaxes strain effects. In conclusion, charge density calculations further support these findings and provide evidence that uniaxial strain can be used to drive orbital hybridization inaccessible with traditional strain engineering techniques.

  3. Continuously controlled optical band gap in oxide semiconductor thin films

    DOE PAGES

    Herklotz, Andreas; Rus, Stefania Florina; Ward, Thomas Zac

    2016-02-02

    The optical band gap of the prototypical semiconducting oxide SnO2 is shown to be continuously controlled through single axis lattice expansion of nanometric films induced by low-energy helium implantation. While traditional epitaxy-induced strain results in Poisson driven multidirectional lattice changes shown to only allow discrete increases in bandgap, we find that a downward shift in the band gap can be linearly dictated as a function of out-of-plane lattice expansion. Our experimental observations closely match density functional theory that demonstrates that uniaxial strain provides a fundamentally different effect on the band structure than traditional epitaxy-induced multiaxes strain effects. In conclusion, chargemore » density calculations further support these findings and provide evidence that uniaxial strain can be used to drive orbital hybridization inaccessible with traditional strain engineering techniques.« less

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

    DOE PAGES

    Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; ...

    2015-11-24

    Complex doping schemes in R3Al5O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-bandmore » maximum (VBM). We consider two sets of compositions based on Lu3B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5O12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.« less

  5. Absolute surface profilometry of an object with large gaps by means of monochromatic laser interferometry

    NASA Astrophysics Data System (ADS)

    Liu, Zhiqiang; Uchikawa, Kiyoshi; Takeda, Mitsuo

    2011-05-01

    We propose a technique for monochromatic laser interferometry capable of absolute surface profilometry of an object with large height gaps exceeding a half wavelength. The technique does not use a broadband source, such as a low-coherence or multi-wavelength source, or a wavelength-tunable device, which causes a dispersion problem. Instead, we make use of the phase change of monochromatic light through the angular shift of illumination introduced by tilting the optical axis of the interferometer. For oblique illumination at angle θ, the phase difference between the test and reference surfaces separated by distance d is given by ΔΦ = 2kd cosθ , where k = 2π /λ is a wavenumber. In effect, the change of illumination angle θ functions as the change of wavelength λ . Therefore, while using a monochromatic laser light source, we can realize the same effect as a multi-wavelength source. From the relation between the illumination angle and the phase change, the absolute distance d between the test and reference surfaces can be determined without ambiguity of an integer multiple of a half wavelength associated with monochromatic interferometry. The large gap height can be determined also without ambiguity from the change of the absolute distance d across the boundary of the gap. Because the resolution of the absolute distance measurement by means of illumination angle change is not high enough by itself, we enhance the resolution by the following procedure. We first estimate the gap height to an integer multiple of a half wavelength by tilting the optical axis. Then the fractional portion of the phase is measured by setting the optical axis perpendicular to the test surface as in conventional interferometry. By combining the integer and the fractional portion, we can determine the absolute gap height with high accuracy and a large dynamic range exceeding a half wavelength. We present an experimental demonstration with a traditional Twyman-Green interferometer, in

  6. Substrate-induced band gap opening in epitaxial graphene

    SciTech Connect

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

    2007-09-08

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

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

    PubMed

    Shainline, Jeffrey M; Xu, Jimmy

    2009-05-25

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

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

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

    PubMed

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

    2016-08-10

    Black phosphorus (BP) has gained renewed attention due to its singular anisotropic electronic and optical properties that might be exploited for a wide range of technological applications. In this respect, the thermal properties are particularly important both to predict its room temperature operation and to determine its thermoelectric potential. From this point of view, one of the most spectacular and poorly understood phenomena is indeed the BP temperature-induced band gap opening; when temperature is increased, the fundamental band gap increases instead of decreases. This anomalous thermal dependence has also been observed recently in its monolayer counterpart. In this work, based on ab initio calculations, we present an explanation for this long known and yet not fully explained effect. We show that it arises from a combination of harmonic and lattice thermal expansion contributions, which are in fact highly interwined. We clearly narrow down the mechanisms that cause this gap opening by identifying the peculiar atomic vibrations that drive the anomaly. The final picture we give explains both the BP anomalous band gap opening and the frequency increase with increasing volume (tension effect).

  10. Ultrafast band-gap oscillations in iron pyrite

    SciTech Connect

    Kolb, B; Kolpak, AM

    2013-12-20

    With its combination of favorable band gap, high absorption coefficient, material abundance, and low cost, iron pyrite, FeS2, has received a great deal of attention over the past decades as a promising material for photovoltaic applications such as solar cells and photoelectrochemical cells. Devices made from pyrite, however, exhibit open circuit voltages significantly lower than predicted, and despite a recent resurgence of interest in the material, there currently exists no widely accepted explanation for this disappointing behavior. In this paper, we show that phonons, which have been largely overlooked in previous efforts, may play a significant role. Using fully self-consistent GW calculations, we demonstrate that a phonon mode related to the oscillation of the sulfur-sulfur bond distance in the pyrite structure is strongly coupled to the energy of the conduction-band minimum, leading to an ultrafast (approximate to 100 fs) oscillation in the band gap. Depending on the coherency of the phonons, we predict that this effect can cause changes of up to +/- 0.3 eV relative to the accepted FeS2 band gap at room temperature. Harnessing this effect via temperature or irradiation with infrared light could open up numerous possibilities for novel devices such as ultrafast switches and adaptive solar absorbers.

  11. Photovoltaic properties of low band gap ferroelectric perovskite oxides

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

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

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

    SciTech Connect

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

    2011-08-19

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

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

    SciTech Connect

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

    2004-11-15

    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{sub 2}), silicon nitride (Si{sub 3}N{sub 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.

  14. Absolute Instability near the Band Edge of Traveling-Wave Amplifiers.

    PubMed

    Hung, D M H; Rittersdorf, I M; Zhang, P; Chernin, D; Lau, Y Y; Antonsen, T M; Luginsland, J W; Simon, D H; Gilgenbach, R M

    2015-09-18

    Applying the Briggs-Bers "pole-pinch" criterion to the exact transcendental dispersion relation of a dielectric traveling wave tube (TWT), we find that there is no absolute instability regardless of the beam current. We extend this analysis to the circuit band edges of a linear beam TWT by approximating the circuit mode as a hyperbola in the frequency-wave-number (ω-k) plane and consider the weak coupling limit. For an operating mode whose group velocity is in the same direction as the beam mode, we find that the lower band edge is not subjected to absolute instability. At the upper band edge, we find a threshold beam current beyond which absolute instability is excited. The nonexistence of absolute instability in a linear beam TWT and the existence in a gyrotron TWT, both at the lower band edge, is contrasted. The general study given here is applicable to some contemporary TWTs such as metamaterial-based and advanced Smith-Purcell TWTs.

  15. Passive band-gap reconfiguration born from bifurcation asymmetry

    NASA Astrophysics Data System (ADS)

    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.

  16. Direct band gap carbon superlattices with efficient optical transition

    NASA Astrophysics Data System (ADS)

    Oh, Young Jun; Kim, Sunghyun; Lee, In-Ho; Lee, Jooyoung; Chang, K. J.

    2016-02-01

    We report pure carbon-based superlattices that exhibit direct band gaps and excellent optical absorption and emission properties at the threshold energy. The structures are nearly identical to that of cubic diamond except that defective layers characterized by five- and seven-membered rings are intercalated in the diamond lattice. The direct band gaps lie in the range of 5.6-5.9 eV, corresponding to wavelengths of 210-221 nm. The dipole matrix elements of direct optical transition are comparable to that of GaN, suggesting that the superlattices are promising materials as an efficient deep ultraviolet light emitter. Molecular dynamics simulations show that the superlattices are thermally stable even at a high temperature of 2000 K. We provide a possible route to the synthesis of superlattices through wafer bonding of diamond (100) surfaces.

  17. Connected hexagonal photonic crystals with largest full band gap.

    PubMed

    Fu, H; Chen, Y; Chern, R; Chang, Chien

    2005-10-03

    A two-dimensional photonic crystal with a large full band gap has been designed, fabricated, and characterized. The photonic crystal design was based on a calculation using inverse iteration with multigrid acceleration. The fabrication of the photonic crystal on silicon was realized by the processes of electron-beam lithography and inductively coupled plasma reactive ion etching. It was found that the hexagonal array of circular columns and rods has an optimal full photonic band gap. In addition, we show that a larger extraction of light from our designed photonic crystal can be obtained when compared with the frequently used photonic crystals reported previously. Our designed PC structure therefore should be very useful for creating highly efficient optoelectronic devices.

  18. Charged domain walls under super-band-gap illumination

    NASA Astrophysics Data System (ADS)

    Sturman, B.; Podivilov, E.

    2017-03-01

    Charged domain walls (CDWs), which possess metallic-type conductivity and can be created and controlled in the bulk of wide-band-gap ferroelectrics, attract nowadays a strong research interest. The most advanced method for production of stable CDWs involves weak super-band-gap illumination. Here, we investigate theoretically the impact of this illumination on the major wall properties including the energy and the spatial profiles of the polarization, of the electrostatic potential, and of the compensating charge carriers. The key material parameters determining the effect of light are the zero-field polarization strength, the dielectric permittivity, and the trap concentration. The main predictions are substantial reduction of the wall energies and decrease of the electric wall potential under light. These features facilitate creation of dense CDWs patterns and accessibility of the metallic-type wall conductivity.

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

    PubMed

    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.

  20. Photonic Band Gap resonators for high energy accelerators

    SciTech Connect

    Schultz, S.; Smith, D.R.; Kroll, N. |

    1993-12-31

    We have proposed that a new type of microwave resonator, based on Photonic Band Gap (PBG) structures, may be particularly useful for high energy accelerators. We provide an explanation of the PBG concept and present data which illustrate some of the special properties associated with such structures. Further evaluation of the utility of PBG resonators requires laboratory testing of model structures at cryogenic temperatures, and at high fields. We provide a brief discussion of our test program, which is currently in progress.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    PubMed Central

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

    2016-01-01

    Deterministic band gap in quasi-one-dimensional nanoribbons is prerequisite for their integrated functionalities in high performance molecular-electronics based devices. However, multiple band gaps commonly observed in graphene nanoribbons of the same width, fabricated in same slot of experiments, remain unresolved, and raise a critical concern over scalable production of pristine and/or hetero-structure nanoribbons with deterministic properties and functionalities for plethora of applications. Here, we show that a modification in the depth of potential wells in the periodic direction of a supercell on relative shifting of passivating atoms at the edges is the origin of multiple band gap values in nanoribbons of the same width in a crystallographic orientation, although they carry practically the same ground state energy. The results are similar when calculations are extended from planar graphene to buckled silicene nanoribbons. Thus, the findings facilitate tuning of the electronic properties of quasi-one-dimensional materials such as bio-molecular chains, organic and inorganic nanoribbons by performing edge engineering. PMID:27808172

  3. Perovskite-perovskite tandem photovoltaics with optimized band gaps

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    PubMed Central

    Klimm, Detlef

    2014-01-01

    The development of semiconductor electronics is reviewed briefly, beginning with the development of germanium devices (band gap E g = 0.66 eV) after World War II. A tendency towards alternative materials with wider band gaps quickly became apparent, starting with silicon (E g = 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 E g 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. PMID:25295170

  5. Two novel silicon phases with direct band gaps.

    PubMed

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

    2016-05-14

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

  6. Band gap transmission in periodic bistable mechanical systems

    NASA Astrophysics Data System (ADS)

    Frazier, Michael J.; Kochmann, Dennis M.

    2017-02-01

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

  7. Band gap engineering and optical properties of tungsten trioxide

    NASA Astrophysics Data System (ADS)

    Ping, Yuan; Li, Yan; Rocca, Dario; Gygi, Francois; Galli, Giulia

    2012-02-01

    Tungsten trioxide (WO3) is a good photoanode material for water oxidation but it is not an efficient absorber of sunlight because of its large band gap (2.6 eV). Recently, stable clathrates of WO3 with interstitial N2 molecules were synthesized [1], which are isostructural to monoclinic WO3 but have a substantially smaller bang gap, 1.8 eV. We have studied the structural, electronic, an vibrational properties of N2-WO3 clathrates using ab-initio calculations and analyzed the physical origin of their gap reduction. We also studied the effect of atomic dopants, in particular rare gases. Substantial band gap reduction has been observed, especially in the case of doping with Xe, due to both electronic and structural effects. Absorption spectra have been computed by solving the Bethe-Salpeter Equation [2] to gain a thourough insight into the optical properties of pure and doped tungsten trioxide. [1] Q. Mi, Y. Ping, Y. Li., B.S. Brunschwig, G. Galli, H B. Gray, N S. Lewis (preprint) [2]D. Rocca, D. Lu and G. Galli, J. Chem. Phys. 133, 164109 (2010)

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

    PubMed

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

    2013-10-10

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

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

    SciTech Connect

    Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; Jiang, Chao; Stanek, Christopher R.

    2015-11-24

    Complex doping schemes in R3Al5O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-band maximum (VBM). We consider two sets of compositions based on Lu3B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5O12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.

  10. Absolute spectral gaps for infrared light and hypersound in three-dimensional metallodielectric phoxonic crystals

    NASA Astrophysics Data System (ADS)

    Papanikolaou, N.; Psarobas, I. E.; Stefanou, N.

    2010-06-01

    By means of full electrodynamic and elastodynamic multiple-scattering calculations we study the optical and acoustic properties of three-dimensional lattices of metallic nanospheres implanted in a dielectric host. Our results show that such structures exhibit omnidirectional spectral gaps for both telecom infrared light and hypersound, with relatively low absorptive losses. This class of dual (phoxonic) band-gap materials is an essential step toward the hypersonic modulation of light and could lead to the development of efficient acousto-optical devices.

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

    NASA Astrophysics Data System (ADS)

    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.

  12. Absolute integrated intensity for the 3.44-microns NO2 band

    NASA Technical Reports Server (NTRS)

    Shafer, J. H.; Young, C.

    1976-01-01

    A grating monochromator infrared spectrometer and a curve of growth technique were used to obtain the absolute integrated intensity for the 3.44 micron NO2 vibration-rotation band at very small NO2 partial pressures. The intensity was found to be 78.9 plus or minus 1.6/cm/(atm cm) at 296 K at the 95% confidence level. The study has relevance to the infrared spectral measurement of atmospheric NO2.

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

    PubMed

    Tolmachev, V; Perova, T; Moore, R

    2005-10-17

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

  14. Femtosecond laser ablation of wide band-gap materials

    NASA Astrophysics Data System (ADS)

    Takayama, Hidetoshi; Maruyama, Toshiro

    2012-11-01

    A plasma model proposed by Jiang and Tsai was applied to the experimental results for wide band-gap materials. The model fairly well predicted the laser-fluence dependences of the hole depth and diameter. The analytical threshold fluence represented the pulse-duration dependence very well. However, the model was insufficient to express the crater shape and to predict the threshold fluence. Deviations from the measurements suggest that the effect of ponderomotive force should be taken into account to improve the expression for the crater shape and that the surface energy needed to be additionally taken into account to predict the threshold fluence quantitatively.

  15. Band gap tuning of nickelates for photovoltaic applications

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  16. Behaviour of hydrogen in wide band gap oxides

    SciTech Connect

    Li, H.; Robertson, J.

    2014-05-28

    The defect formation energies and atomic geometries of interstitial hydrogen in its different charge states in a number of wide band gap oxides are calculated by the Heyd, Scuseria, Ernzerhof hybrid functional. As in semiconductors, two behaviours are found, it acts either as an amphoteric defect or as a shallow donor. There are large scale lattice relaxations between the different charge states for the case of the amphoteric defect. Interestingly, we find that the +/− transition level does have a good alignment below the vacuum level, as was found previously for tetrahedral semiconductors.

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

    PubMed

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

    2014-05-21

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

  18. Photonic band gap spectra in Octonacci metamaterial quasicrystals

    NASA Astrophysics Data System (ADS)

    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 .

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

    PubMed

    Toader, Ovidiu; John, Sajeev

    2004-10-01

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

  20. 3-D phononic crystals with ultra-wide band gaps

    PubMed Central

    Lu, Yan; Yang, Yang; Guest, James K.; Srivastava, Ankit

    2017-01-01

    In this paper gradient based topology optimization (TO) is used to discover 3-D phononic structures that exhibit ultra-wide normalized all-angle all-mode band gaps. The challenging computational task of repeated 3-D phononic band-structure evaluations is accomplished by a combination of a fast mixed variational eigenvalue solver and distributed Graphic Processing Unit (GPU) parallel computations. The TO algorithm utilizes the material distribution-based approach and a gradient-based optimizer. The design sensitivity for the mixed variational eigenvalue problem is derived using the adjoint method and is implemented through highly efficient vectorization techniques. We present optimized results for two-material simple cubic (SC), body centered cubic (BCC), and face centered cubic (FCC) crystal structures and show that in each of these cases different initial designs converge to single inclusion network topologies within their corresponding primitive cells. The optimized results show that large phononic stop bands for bulk wave propagation can be achieved at lower than close packed spherical configurations leading to lighter unit cells. For tungsten carbide - epoxy crystals we identify all angle all mode normalized stop bands exceeding 100%, which is larger than what is possible with only spherical inclusions. PMID:28233812

  1. 3-D phononic crystals with ultra-wide band gaps

    NASA Astrophysics Data System (ADS)

    Lu, Yan; Yang, Yang; Guest, James K.; Srivastava, Ankit

    2017-02-01

    In this paper gradient based topology optimization (TO) is used to discover 3-D phononic structures that exhibit ultra-wide normalized all-angle all-mode band gaps. The challenging computational task of repeated 3-D phononic band-structure evaluations is accomplished by a combination of a fast mixed variational eigenvalue solver and distributed Graphic Processing Unit (GPU) parallel computations. The TO algorithm utilizes the material distribution-based approach and a gradient-based optimizer. The design sensitivity for the mixed variational eigenvalue problem is derived using the adjoint method and is implemented through highly efficient vectorization techniques. We present optimized results for two-material simple cubic (SC), body centered cubic (BCC), and face centered cubic (FCC) crystal structures and show that in each of these cases different initial designs converge to single inclusion network topologies within their corresponding primitive cells. The optimized results show that large phononic stop bands for bulk wave propagation can be achieved at lower than close packed spherical configurations leading to lighter unit cells. For tungsten carbide - epoxy crystals we identify all angle all mode normalized stop bands exceeding 100%, which is larger than what is possible with only spherical inclusions.

  2. Narrow band gap conjugated polymers for emergent optoelectronic technologies

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

  3. Plasmon-pole models affect band gaps in GW calculations

    NASA Astrophysics Data System (ADS)

    Larson, Paul; Wu, Zhigang

    2013-03-01

    Density functional theory calculations have long been known to underestimate the band gaps in semiconductors. Significant improvements have been made by using GW calculations that uses the self energy, defined as the product of the Green function (G) and screened Coulomb exchange (W). However, many approximations are made in the GW method, specifically the plasmon-pole approximation. This approximation replaces the integration necessary to produce W with a simple approximation to the inverse dielectric function. Four different plasmon-pole approximations have been tested using the tight-binding program ABINIT: Godby-Needs, Hybertsen-Louie, von der Linden-Horsch, and Engel-Farid. For many materials, the differences in the GW band gaps for the different plasmon-pole models are negligible, but for systems with localized electrons, the difference can be larger than 1 eV. The plasmon-pole approximation is generally chosen to best agree with experimental data, but this is misleading in that this ignores all of the other approximations used in the GW method. Improvements in plasmon-pole models in GW can only come about by trying to reproduce the results of the numerical integration rather than trying to reproduce experimental results.

  4. Graded band gap GaInNAs solar cells

    SciTech Connect

    Langer, F.; Perl, S.; Kamp, M.; Höfling, S.

    2015-06-08

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

  5. Computational investigation on tunable optical band gap in armchair polyacenes

    SciTech Connect

    Das, Mousumi

    2015-08-14

    Polyacenes in their armchair geometry (phenacenes) have recently been found to possess appealing electronic and optical properties with higher chemical stability and comparatively larger band gap as compared to linear polyacenes. They also behave as high-temperature superconductors upon alkali metal doping. Moreover, the optical properties of crystalline picene can be finely tuned by applying external pressure. We investigated the variation of optical gap as a function of altering the interplanar distances between parallel cofacial phenacene dimers. We employed both time-dependent density functional theory and density matrix renormalization group (DMRG) technique to investigate the lowest singlet excitations in phenacene dimer. Our study showed that the lowest singlet excitation in these systems evolved as a function of interplanar separation. The optical excitation energy gap decreases as a function of inverse interplanar separation of the phenacene dimer. The distant dependent variation of optical absorption at the dimer level may be comparable with experimental observation in picene crystal under pressure. DMRG study also demonstrates that besides picene, electronic properties of higher phenacenes can also be tunable by altering interplanar separation.

  6. Landsat-7 ETM+ on-orbit reflective-band radiometric stability and absolute calibration

    USGS Publications Warehouse

    Markham, B.L.; Thome, K.J.; Barsi, J.A.; Kaita, E.; Helder, Dennis L.; Barker, J. L.; Scaramuzza, Pat

    2004-01-01

    Launched in April 1999, the Landsat-7 Enhanced Thematic Mapper Plus (ETM+) instrument is in its sixth year of operation. The ETM+ instrument has been the most stable of any of the Landsat instruments. To date, the best onboard calibration source for the reflective bands has been the Full Aperture Solar Calibrator, a solar-diffuser-based system, which has indicated changes of between 1% to 2% per year in the ETM+ gain for bands 1-4 and 8 and less than 0.5%/year for bands 5 and 7. However, most of this change is believed to be caused by changes in the solar diffuser panel, as opposed to a change in the instrument's gain. This belief is based partially on vicarious calibrations and observations of "invariant sites", hyperarid sites of the Sahara and Arabia. Weighted average slopes determined from these datasets suggest changes of 0.0% to 0.4% per year for bands 1-4 and 8 and 0.4% to 0.5% per year for bands 5 and 7. Absolute calibration of the reflective bands of the ETM+ is consistent with vicarious observations and other sensors generally at the 5% level, though there appear to be some systematic differences.

  7. Preprophase band formation and cortical division zone establishment: RanGAP behaves differently from microtubules during their band formation

    PubMed Central

    Yabuuchi, Takatoshi; Nakai, Tomonori; Sonobe, Seiji; Yamauchi, Daisuke; Mineyuki, Yoshinobu

    2015-01-01

    Correct positioning of the division plane is a prerequisite for plant morphogenesis. The preprophase band (PPB) is a key intracellular structure of division site determination. PPB forms in G2 phase as a broad band of microtubules (MTs) that narrows in prophase and specializes few-micrometer-wide cortical belt region, named the cortical division zone (CDZ), in late prophase. The PPB comprises several molecules, some of which act as MT band organization and others remain in the CDZ marking the correct insertion of the cell plate in telophase. Ran GTPase-activating protein (RanGAP) is accumulated in the CDZ and forms a RanGAP band in prophase. However, little is known about when and how RanGAPs gather in the CDZ, and especially with regard to their relationships to MT band formation. Here, we examined the spatial and temporal distribution of RanGAPs and MTs in the preprophase of onion root tip cells using confocal laser scanning microscopy and showed that the RanGAP band appeared in mid-prophase as the width of MT band was reduced to nearly 7 µm. Treatments with cytoskeletal inhibitors for 15 min caused thinning or broadening of the MT band but had little effects on RanGAP band in mid-prophase and most of late prophase cells. Detailed image analyses of the spatial distribution of RanGAP band and MT band showed that the RanGAP band positioned slightly beneath the MT band in mid-prophase. These results raise a possibility that RanGAP behaves differently from MTs during their band formation. PMID:26237087

  8. Nanoscale Studies of Energy Band Gaps and Band Offsets in Compound Semiconductor Heterostructures

    NASA Astrophysics Data System (ADS)

    Chang, Alexander S.

    The identification of the precise band offsets at semiconductor interfaces is crucially important for the successful development of electronic and optoelectronic devices. However, issues at the interfaces, such as strain or defects, needs to be investigated for precise band tuning of semiconductor heterostructures. In this dissertation, the nanometer-scale structural and electronic properties of InGaAs(Sb)N/GaAs interfaces, InGaN/GaN QDs, and GaSb/GaAs QDs are investigated using a combination of XSTM and STS. The influence of Sb incorporation on the InGaAs(Sb)N/GaAs band alignment is investigated. At the InGaAsN/GaAs (InGaAsSbN/GaAs) interfaces, type II (type I) band offsets are observed, due to strain-induced splitting of the valence band and the incorporation of Sb. Band tuning of both conduction and valence band edges with the incorporation of Sb can be used to engineer the band structure with strong confinement of electrons and holes in the InGaAsSbN quantum well layer, which is promising for light emitting applications. The influence of the growth substrate on InGaN/GaN QD formation and properties is examined. The QD density, dimension, and band gaps are compared for different InGaN QDs on free-standing GaN or GaN/AlN/sapphire substrates. We present different sources using nucleation on different substrates, and discuss their influences on the electronic band structure. Our work suggests that a wide variety of InGaN QD dimension, density, and band structure can be achieved by using different starting substrate and number of layers of InGaN QD stacks. Furthermore, the influence of strain and dislocation on the GaSb/GaAs QD band alignment is investigated using both experimental and computational tools. A combination of cross-sectional transmission electron microscopy (XTEM), XSTM, and STS reveals the formation of misfit dislocations and both coherent and semi-coherent clustered QDs, independent of Sb- vs. As-termination of the GaAs surface. Furthermore, finite

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

    SciTech Connect

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

    2014-01-01

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

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

    PubMed Central

    Waterhouse, G. I. N.; Wahab, A. K.; Al-Oufi, M.; Jovic, V.; Anjum, D. 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. PMID:24108361

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

    PubMed

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

    2015-08-20

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

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

    PubMed Central

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

    2015-01-01

    Non-crystalline photonic band gap (PBG) materials have received increasing attention, and sizeable PBGs have been reported in quasi-crystalline structures and, more recently, in disordered structures. Band structure calculations for periodic structures produce accurate dispersion relations, which determine group velocities, dispersion, density of states and iso-frequency surfaces, and are used to predict a wide-range of optical phenomena including light propagation, excited-state decay rates, temporal broadening or compression of ultrashort pulses and complex refraction phenomena. However, band calculations for non-periodic structures employ large super-cells of hundreds to thousands building blocks, and provide little useful information other than the PBG central frequency and width. Using stereolithography, we construct cm-scale disordered PBG materials and perform microwave transmission measurements, as well as finite-difference time-domain (FDTD) simulations. The photonic dispersion relations are reconstructed from the measured and simulated phase data. Our results demonstrate the existence of sizeable PBGs in these disordered structures and provide detailed information of the effective band diagrams, dispersion relation, iso-frequency contours, and their angular dependence. Slow light phenomena are also observed in these structures near gap frequencies. This study introduces a powerful tool to investigate photonic properties of non-crystalline structures and provides important effective dispersion information, otherwise difficult to obtain. PMID:26289434

  13. Single-junction solar cells with the optimum band gap for terrestrial concentrator applications

    DOEpatents

    Wanlass, Mark W.

    1994-01-01

    A single-junction solar cell having the ideal band gap for terrestrial concentrator applications. Computer modeling studies of single-junction solar cells have shown that the presence of absorption bands in the direct spectrum has the effect of "pinning" the optimum band gap for a wide range of operating conditions at a value of 1.14.+-.0.02 eV. Efficiencies exceeding 30% may be possible at high concentration ratios for devices with the ideal band gap.

  14. Voltage-matched, monolithic, multi-band-gap devices

    DOEpatents

    Wanlass, Mark W.; Mascarenhas, Angelo

    2006-08-22

    Monolithic, tandem, photonic cells include at least a first semiconductor layer and a second semiconductor layer, wherein each semiconductor layer includes an n-type region, a p-type region, and a given band-gap energy. Formed within each semiconductor layer is a sting of electrically connected photonic sub-cells. By carefully selecting the numbers of photonic sub-cells in the first and second layer photonic sub-cell string(s), and by carefully selecting the manner in which the sub-cells in a first and second layer photonic sub-cell string(s) are electrically connected, each of the first and second layer sub-cell strings may be made to achieve one or more substantially identical electrical characteristics.

  15. Voltage-Matched, Monolithic, Multi-Band-Gap Devices

    DOEpatents

    Wanlass, M. W.; Mascarenhas, A.

    2006-08-22

    Monolithic, tandem, photonic cells include at least a first semiconductor layer and a second semiconductor layer, wherein each semiconductor layer includes an n-type region, a p-type region, and a given band-gap energy. Formed within each semiconductor layer is a string of electrically connected photonic sub-cells. By carefully selecting the numbers of photonic sub-cells in the first and second layer photonic sub-cell string(s), and by carefully selecting the manner in which the sub-cells in a first and second layer photonic sub-cell string(s) are electrically connected, each of the first and second layer sub-cell strings may be made to achieve one or more substantially identical electrical characteristics.

  16. Half-oxidized phosphorene: band gap and elastic properties modulation.

    PubMed

    Drissi, L B; Sadki, S; Sadki, K

    2016-04-13

    Based on a first principles approach, we study structural, electronic and elastic properties, as well as stabilities of all possible half-oxidized phosphorene conformers. Stability analysis reveals that oxygen chemisorption is an exothermic process in the six configurations despite the formation of interstitial oxygen bridges in three of them. Electronic structure calculations show that oxidation induces a band gap modulation ranging between 0.54 and 1.57 eV in the generalized gradient approximation corrected to 1.19 and 2.88 eV using GW. The mechanical response of the conformers is sensitively dependent on direction and indicates that the new derivatives are incompressible materials and one configuration has an auxetic behavior. The present results provide a basis for tailoring the electronic and elastic properties of phosphorene via half oxidation.

  17. Half-oxidized phosphorene: band gap and elastic properties modulation

    NASA Astrophysics Data System (ADS)

    Drissi, L. B.; Sadki, S.; Sadki, K.

    2016-04-01

    Based on a first principles approach, we study structural, electronic and elastic properties, as well as stabilities of all possible half-oxidized phosphorene conformers. Stability analysis reveals that oxygen chemisorption is an exothermic process in the six configurations despite the formation of interstitial oxygen bridges in three of them. Electronic structure calculations show that oxidation induces a band gap modulation ranging between 0.54 and 1.57 eV in the generalized gradient approximation corrected to 1.19 and 2.88 eV using GW. The mechanical response of the conformers is sensitively dependent on direction and indicates that the new derivatives are incompressible materials and one configuration has an auxetic behavior. The present results provide a basis for tailoring the electronic and elastic properties of phosphorene via half oxidation.

  18. Trapping of coherence and entanglement in photonic band-gaps

    NASA Astrophysics Data System (ADS)

    Feng, Ling-Juan; Zhang, Ying-Jie; Xing, Gui-Chao; Xia, Yun-Jie; Gong, Shang-Qing

    2017-02-01

    We investigate the coherence trapping of a two-level atom transversally interacting with a reservoir with a photonic band-gap structure function. We then focus on the multipartite entanglement dynamics via genuinely multipartite concurrence among N independent atoms each locally coupled with its own reservoir. By considering the Lorentzian width and the system size, we find that for the resonant and near-resonant conditions, the increase of Lorentzian width and the decrease of system size can lead to the occurrence of coherence trapping and entanglement trapping. By choosing the multipartite GHZ state as atomic initial state, we show that the multipartite entanglement may exhibit entanglement sudden death depending on the initial condition and the system size. In addition, we also analyze how the crossover behaviors of two dynamical regimes are influenced by the Lorentzian width and the weight ratio, in terms of the non-Markovianity.

  19. Spin asymmetric band gap opening in graphene by Fe adsorption

    NASA Astrophysics Data System (ADS)

    del Castillo, E.; Cargnoni, F.; Achilli, S.; Tantardini, G. F.; Trioni, M. I.

    2015-04-01

    The adsorption of Fe atom on graphene is studied by first-principles Density Functional Theory. The structural, electronic, and magnetic properties are analyzed at different coverages, all preserving C6v symmetry for the Fe adatom. We observed that binding energies, magnetic moments, and adsorption distances rapidly converge as the size of the supercell increases. Among the considered supercells, those constituted by 3n graphene unit cells show a very peculiar behavior: the adsorption of a Fe atom induces the opening of a spin-dependent gap in the band structure. In particular, the gap amounts to tenths of eV in the majority spin component, while in the minority one it has a width of about 1 eV for the 3 × 3 supercell and remains significant even at very low coverages (0.25 eV for θ ≃ 2%). The charge redistribution upon Fe adsorption has also been analyzed according to state of the art formalisms indicating an appreciable charge transfer from Fe to the graphene layer.

  20. Temperature Dependence of the Band Gap of Semiconducting Carbon Nanotubes

    NASA Astrophysics Data System (ADS)

    Capaz, Rodrigo B.; Tangney, Paul; Spataru, Catalin D.

    2005-03-01

    The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality dependence of Eg(T) is obtained, including non-monotonic behavior for certain tubes and distinct ``family'' behavior. These results are traced to a strong and complex coupling between band-edge states and the lowest-energy optical phonon modes in SWNTs. The Eg(T) curves are modeled by an analytic function with diameter and chirality dependent parameters; these provide a valuable guide for systematic estimates of Eg(T) for any given SWNT. Magnitudes of the temperature shifts at 300 K are smaller than 12 meV and should not affect (n,m) assignments based on optical measurements. RBC acknowledges financial support from the John Simon Guggenheim Memorial Foundation and Brazilian funding agencies CNPq, FAPERJ, Instituto de Nanociências, FUJB-UFRJ and PRONEX-MCT. Work partially supported by NSF Grant No. DMR00-87088 and DOE Contract No. DE-AC03-76SF00098. Computer resources were provided by NERSC and NPACI.

  1. High-Power Fiber Lasers Using Photonic Band Gap Materials

    NASA Technical Reports Server (NTRS)

    DiDomenico, Leo; Dowling, Jonathan

    2005-01-01

    High-power fiber lasers (HPFLs) would be made from photonic band gap (PBG) materials, according to the proposal. Such lasers would be scalable in the sense that a large number of fiber lasers could be arranged in an array or bundle and then operated in phase-locked condition to generate a superposition and highly directed high-power laser beam. It has been estimated that an average power level as high as 1,000 W per fiber could be achieved in such an array. Examples of potential applications for the proposed single-fiber lasers include welding and laser surgery. Additionally, the bundled fibers have applications in beaming power through free space for autonomous vehicles, laser weapons, free-space communications, and inducing photochemical reactions in large-scale industrial processes. The proposal has been inspired in part by recent improvements in the capabilities of single-mode fiber amplifiers and lasers to produce continuous high-power radiation. In particular, it has been found that the average output power of a single strand of a fiber laser can be increased by suitably changing the doping profile of active ions in its gain medium to optimize the spatial overlap of the electromagnetic field with the distribution of active ions. Such optimization minimizes pump power losses and increases the gain in the fiber laser system. The proposal would expand the basic concept of this type of optimization to incorporate exploitation of the properties (including, in some cases, nonlinearities) of PBG materials to obtain power levels and efficiencies higher than are now possible. Another element of the proposal is to enable pumping by concentrated sunlight. Somewhat more specifically, the proposal calls for exploitation of the properties of PBG materials to overcome a number of stubborn adverse phenomena that have impeded prior efforts to perfect HPFLs. The most relevant of those phenomena is amplified spontaneous emission (ASE), which causes saturation of gain and power

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

    NASA Astrophysics Data System (ADS)

    Coffy, Etienne; Lavergne, Thomas; Addouche, Mahmoud; Euphrasie, Sébastien; Vairac, Pascal; Khelif, Abdelkrim

    2015-12-01

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

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

    SciTech Connect

    Coffy, Etienne Lavergne, Thomas; Addouche, Mahmoud; Euphrasie, Sébastien; Vairac, Pascal; Khelif, Abdelkrim

    2015-12-07

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

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

    SciTech Connect

    Inaoka, Takeshi Furukawa, Takuro; Toma, Ryo; Yanagisawa, Susumu

    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.

  5. Acoustic Band Gap Formation in Two-Dimensional Locally Resonant Sonic Crystals Comprised of Helmholtz Resonators

    NASA Astrophysics Data System (ADS)

    Chalmers, L.; Elford, D. P.; Kusmartsev, F. V.; Swallowe, G. M.

    2010-12-01

    We present a new type of sonic crystal technology offering a novel method of achieving broad acoustic band gaps. The proposed design of a locally resonating sonic crystal (LRSC) is constructed from "C"-shaped Helmholtz resonators as opposed to traditional solid scattering units. This unique construction enables a two band gap system to be generated in which the first -- a Bragg type band gap, arises due to the periodic nature of the crystal, whilst the second gap results from resonance of the air column within the resonators. The position of this secondary band gap is found to be dependent upon the dimensions of the resonating cavity. The band gap formation is investigated theoretically using finite element methods, and confirmed through experimental testing. It is noted that the resonance band gaps detected cover a much broader frequency range (in the order of kHz) than has been achieved to date. In addition the possibility of overlapping such a wide band gap with the characteristic Bragg gap generated by the structure itself could yield gaps of even greater range. A design of sonic crystal is proposed, that comprises of several resonators with differing cavity sizes. Such a structure generates multiple resonance gaps corresponding to the various resonator sizes, which may be overlapped to form yet larger band gaps. This multiple resonance gap system can occur in two configurations. Firstly a simple mixed array can be created by alternating resonator sizes in the array and secondly using a System coined the Matryoshka (Russian doll) array in which the resonators are distributed inside one another. The proposed designs of LRSC's offer a real potential for acoustic shielding using sonic crystals, as both the size and position of the band gaps generated can be controlled. This is an application which has been suggested and investigated for several years with little progress. Furthermore the frequency region attenuated by resonance is unrelated to the crystals lattice

  6. Acoustic Band Gap Formation in Two-Dimensional Locally Resonant Sonic Crystals Comprised of Helmholtz Resonators

    NASA Astrophysics Data System (ADS)

    Chalmers, L.; Elford, D. P.; Kusmartsev, F. V.; Swallowe, G. M.

    We present a new type of sonic crystal technology offering a novel method of achieving broad acoustic band gaps. The proposed design of a locally resonating sonic crystal (LRSC) is constructed from "C"-shaped Helmholtz resonators as opposed to traditional solid scattering units. This unique construction enables a two band gap system to be generated in which the first — a Bragg type band gap, arises due to the periodic nature of the crystal, whilst the second gap results from resonance of the air column within the resonators. The position of this secondary band gap is found to be dependent upon the dimensions of the resonating cavity. The band gap formation is investigated theoretically using finite element methods, and confirmed through experimental testing. It is noted that the resonance band gaps detected cover a much broader frequency range (in the order of kHz) than has been achieved to date. In addition the possibility of overlapping such a wide band gap with the characteristic Bragg gap generated by the structure itself could yield gaps of even greater range. A design of sonic crystal is proposed, that comprises of several resonators with differing cavity sizes. Such a structure generates multiple resonance gaps corresponding to the various resonator sizes, which may be overlapped to form yet larger band gaps. This multiple resonance gap system can occur in two configurations. Firstly a simple mixed array can be created by alternating resonator sizes in the array and secondly using a system coined the Matryoshka (Russian doll) array in which the resonators are distributed inside one another. The proposed designs of LRSC's offer a real potential for acoustic shielding using sonic crystals, as both the size and position of the band gaps generated can be controlled. This is an application which has been suggested and investigated for several years with little progress. Furthermore the frequency region attenuated by resonance is unrelated to the crystals

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

    PubMed Central

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

    2014-01-01

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

  8. Pattern reconfigurable antenna using electromagnetic band gap structure

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

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

  9. Photonic-band-gap traveling-wave gyrotron amplifier.

    PubMed

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

    2013-12-06

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

  10. Correlation of symptom clusters of schizophrenia with absolute powers of main frequency bands in quantitative EEG

    PubMed Central

    Gross, Andres; Joutsiniemi, Sirkka-Liisa; Rimon, Ranan; Appelberg, Björn

    2006-01-01

    Background Research of QEEG activity power spectra has shown intriguing results in patients with schizophrenia. Different symptom clusters have been correlated to QEEG frequency bands. The findings have been to some extent inconsistent. Replication of the findings of previous research is thus an important task. In the current study we investigated the correlations between the absolute powers of delta, theta, alpha, and beta frequency bands over the fronto-central scalp area (FC) with the PANSS subscales and the Liddle's factors in 16 patients with schizophrenia. The authors hypothesised a priori the correlations reported by Harris et al (1999) of PANSS negative subscale with delta power, Liddle's psychomotor poverty with delta and beta powers, disorganisation with delta power and reality distortion with alpha power on the midline FC. Methods The sample consisted of 16 patients with chronic schizophrenia considered as having insufficient clinical response to conventional antipsychotic treatment and evidencing a relapse. The correlations between quantitative electroencephalography (QEEG) absolute powers of delta (1.5–3.0 Hz), theta (3.0–7.5 Hz), alpha (7.5–12.5 Hz), and beta (12.5–20.0 Hz) frequency bands over the fronto-central scalp area (FC) with PANSS subscales and Liddle's factors (reality distortion, disorganisation, psychomotor poverty) were investigated. Results Significant positive correlations were found between the beta and psychomotor poverty (p < 0.05). Trends towards positive correlations (p < 0.1) were observed between delta and PANSS negative subscale and psychomotor poverty. Alpha did not correlate with reality distortion and delta did not correlate with disorganisation. Post hoc analysis revealed correlations of the same magnitude between beta and psychopathology generally over FC. Conclusion The a priori hypothesis was partly supported by the correlation of the beta and psychomotor poverty. Liddle's factors showed correlations of the same

  11. Opening Loads Analyses for Various Disk-Gap-Band Parachutes

    NASA Technical Reports Server (NTRS)

    Cruz, J. R.; Kandis, M.; Witkowski, A.

    2003-01-01

    Detailed opening loads data is presented for 18 tests of Disk-Gap-Band (DGB) parachutes of varying geometry with nominal diameters ranging from 43.2 to 50.1 ft. All of the test parachutes were deployed from a mortar. Six of these tests were conducted via drop testing with drop test vehicles weighing approximately 3,000 or 8,000 lb. Twelve tests were conducted in the National Full-Scale Aerodynamics Complex 80- by 120-foot wind tunnel at the NASA Ames Research Center. The purpose of these tests was to structurally qualify the parachute for the Mars Exploration Rover mission. A key requirement of all tests was that peak parachute load had to be reached at full inflation to more closely simulate the load profile encountered during operation at Mars. Peak loads measured during the tests were in the range from 12,889 to 30,027 lb. Of the two test methods, the wind tunnel tests yielded more accurate and repeatable data. Application of an apparent mass model to the opening loads data yielded insights into the nature of these loads. Although the apparent mass model could reconstruct specific tests with reasonable accuracy, the use of this model for predictive analyses was not accurate enough to set test conditions for either the drop or wind tunnel tests. A simpler empirical model was found to be suitable for predicting opening loads for the wind tunnel tests to a satisfactory level of accuracy. However, this simple empirical model is not applicable to the drop tests.

  12. Narrow band gap and enhanced thermoelectricity in FeSb2.

    PubMed

    Sun, Peijie; Oeschler, Niels; Johnsen, Simon; Iversen, Bo B; Steglich, Frank

    2010-01-28

    FeSb(2) was recently identified as a narrow-gap semiconductor with indications of strong electron-electron correlations. In this manuscript, we report on systematic thermoelectric investigation of a number of FeSb(2) single crystals with varying carrier concentrations, together with two isoelectronically substituted FeSb(2-x)As(x) samples (x = 0.01 and 0.03) and two reference compounds FeAs(2) and RuSb(2). Typical behaviour associated with narrow bands and narrow gaps is only confirmed for the FeSb(2) and the FeSb(2-x)As(x) samples. The maximum absolute thermopower of FeSb(2) spans from 10 to 45 mV/K at around 10 K, greatly exceeding that of both FeAs(2) and RuSb(2). The relation between the carrier concentration and the maximum thermopower value is in approximate agreement with theoretical predictions of the electron-diffusion contribution which, however, requires an enhancement factor larger than 30. The isoelectronic substitution leads to a reduction of the thermal conductivity, but the charge-carrier mobility is also largely reduced due to doping-induced crystallographic defects or impurities. In combination with the high charge-carrier mobility and the enhanced thermoelectricity, FeSb(2) represents a promising candidate for thermoelectric cooling applications at cryogenic temperatures.

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

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

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

  14. Stacking orders induced direct band gap in bilayer MoSe2-WSe2 lateral heterostructures

    PubMed Central

    Hu, Xiaohui; Kou, Liangzhi; Sun, Litao

    2016-01-01

    The direct band gap of monolayer semiconducting transition-metal dichalcogenides (STMDs) enables a host of new optical and electrical properties. However, bilayer STMDs are indirect band gap semiconductors, which limits its applicability for high-efficiency optoelectronic devices. Here, we report that the direct band gap can be achieved in bilayer MoSe2-WSe2 lateral heterostructures by alternating stacking orders. Specifically, when Se atoms from opposite layers are stacked directly on top of each other, AA and A’B stacked heterostructures show weaker interlayer coupling, larger interlayer distance and direct band gap. Whereas, when Se atoms from opposite layers are staggered, AA’, AB and AB’ stacked heterostructures exhibit stronger interlayer coupling, shorter interlayer distance and indirect band gap. Thus, the direct/indirect band gap can be controllable in bilayer MoSe2-WSe2 lateral heterostructures. In addition, the calculated sliding barriers indicate that the stacking orders of bilayer MoSe2-WSe2 lateral heterostructures can be easily formed by sliding one layer with respect to the other. The novel direct band gap in bilayer MoSe2-WSe2 lateral heterostructures provides possible application for high-efficiency optoelectronic devices. The results also show that the stacking order is an effective strategy to induce and tune the band gap of layered STMDs. PMID:27528196

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

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

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

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

    PubMed

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

    2010-06-21

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

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Single-junction solar cells with the optimum band gap for terrestrial concentrator applications

    DOEpatents

    Wanlass, M.W.

    1994-12-27

    A single-junction solar cell is described having the ideal band gap for terrestrial concentrator applications. Computer modeling studies of single-junction solar cells have shown that the presence of absorption bands in the direct spectrum has the effect of ''pinning'' the optimum band gap for a wide range of operating conditions at a value of 1.14[+-]0.02 eV. Efficiencies exceeding 30% may be possible at high concentration ratios for devices with the ideal band gap. 7 figures.

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

    SciTech Connect

    Jandieri, K. Ludewig, P.; Wegele, T.; Beyer, A.; Kunert, B.; Springer, P.; Baranovskii, S. D.; Koch, S. W.; Volz, K.; Stolz, W.

    2015-08-14

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

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

    PubMed

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

    2017-03-27

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

  1. Absolute infrared vibrational band intensities of molecular ions determined by direct laser absorption spectroscopy in fast ion beams

    SciTech Connect

    Keim, E.R.; Polak, M.L.; Owrutsky, J.C.; Coe, J.V.; Saykally, R.J. )

    1990-09-01

    The technique of direct laser absorption spectroscopy in fast ion beams has been employed for the determination of absolute integrated band intensities ({ital S}{sup 0}{sub {ital v}}) for the {nu}{sub 3} fundamental bands of H{sub 3}O{sup +} and NH{sup +}{sub 4}. In addition, the absolute band intensities for the {nu}{sub 1} fundamental bands of HN{sup +}{sub 2} and HCO{sup +} have been remeasured. The values obtained in units of cm{sup {minus}2} atm{sup {minus}1} at STP are 1880(290) and 580(90) for the {nu}{sub 1} fundamentals of HN{sup +}{sub 2} and HCO{sup +}, respectively; and 4000(800) and 1220(190) for the {nu}{sub 3} fundamentals of H{sub 3}O{sup +} and NH{sup +}{sub 4}, respectively. Comparisons with {ital ab} {ital initio} results are presented.

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

    PubMed

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

    2015-12-01

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

  3. Multi-large low-frequency band gaps in a periodic hybrid structure

    NASA Astrophysics Data System (ADS)

    Wang, T.; Sheng, M. P.; Guo, H. B.

    2016-03-01

    A hybrid structure composed of a local resonance mass and an external oscillator is proposed in this paper for restraining the elastic longitudinal wave propagation. Theoretical model has been established to investigate the dispersion relation and band gaps of the structure. The results show that the hybrid structure can produce multi-band gaps wider than the multi-resonator acoustic metamaterials. It is much easier for the hybrid structure to yield wide and low band gaps by adjusting the mass and stiffness of the external oscillator. Small series spring constant ratio results in low-frequency band gaps, in which the external oscillator acts as a resonator and replaces the original local resonator to hold the band gaps in low frequency range. Compared with the one-dimensional phononic crystal (PC) lattice, a new band gap emerges in lower frequency range in the hybrid structure because of the added local resonance, which will be a significant assistance in low-frequency vibration and noise reduction. Further, harmonic response analysis using finite element method (FEM) has been performed, and results show that elastic longitudinal waves are efficiently forbidden within the band gaps.

  4. Mechanism of Gap Opening in a Triple-Band Peierls System: In Atomic Wires on Si

    NASA Astrophysics Data System (ADS)

    Ahn, J. R.; Byun, J. H.; Koh, H.; Rotenberg, E.; Kevan, S. D.; Yeom, H. W.

    2004-08-01

    One dimensional (1D) metals are unstable at low temperature undergoing a metal-insulator transition coupled with a periodic lattice distortion, a Peierls transition. Angle-resolved photoemission study for the 1D metallic chains of In on Si(111), featuring a metal-insulator transition and triple metallic bands, clarifies in detail how the multiple band gaps are formed at low temperature. In addition to the gap opening for a half-filled ideal 1D band with a proper Fermi surface nesting, two other quasi-1D metallic bands are found to merge into a single band, opening a unique but k-dependent energy gap through an interband charge transfer. This result introduces a novel gap-opening mechanism for a multiband Peierls system where the interband interaction is important.

  5. Low-frequency band gap mechanism of torsional vibration of lightweight elastic metamaterial shafts

    NASA Astrophysics Data System (ADS)

    Li, Lixia; Cai, Anjiang

    2016-07-01

    In this paper, the low-frequency band gap mechanism of torsional vibration is investigated for a kind of light elastic metamaterial (EM) shafts architecture comprised of a radial double-period element periodically as locally resonant oscillators with low frequency property. The dispersion relations are calculated by a method combining the transfer matrix and a lumped-mass method. The theoretical results agree well with finite method simulations, independent of the density of the hard material ring. The effects of the material parameters on the band gaps are further explored numerically. Our results show that in contrast to the traditional EM shaft, the weight of our proposed EM shaft can be reduced by 27% in the same band gap range while the vibration attenuation is kept unchanged, which is very convenient to instruct the potential engineering applications. Finally, the band edge frequencies of the lower band gaps for this light EM shaft are expressed analytically using physical heuristic models.

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

    SciTech Connect

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

    2015-08-15

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

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

    SciTech Connect

    Marsh, Roark A.; Shapiro, Michael A.; Temkin, Richard J.; Dolgashev, Valery A.; Laurent, Lisa L.; Lewandowski, James R.; Yeremian, A.Dian; Tantawi, Sami G.; /SLAC

    2012-06-11

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

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

    NASA Astrophysics Data System (ADS)

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

    2011-06-01

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

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

    NASA Astrophysics Data System (ADS)

    Chegel, Raad

    2016-06-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

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

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

    PubMed

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

    2014-11-21

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

  12. Band-Gap Engineering at a Semiconductor-Crystalline Oxide Interface

    SciTech Connect

    Jahangir-Moghadam, Mohammadreza; Ahmadi-Majlan, Kamyar; Shen, Xuan; Droubay, Timothy; Bowden, Mark; Chrysler, Matthew; Su, Dong; Chambers, Scott A.; Ngai, Joseph H.

    2015-02-09

    The epitaxial growth of crystalline oxides on semiconductors provides a pathway to introduce new functionalities to semiconductor devices. Key to integrating the functionalities of oxides onto semiconductors is controlling the band alignment at interfaces between the two materials. Here we apply principles of band gap engineering traditionally used at heterojunctions between conventional semiconductors to control the band offset between a single crystalline oxide and a semiconductor. Reactive molecular beam epitaxy is used to realize atomically abrupt and structurally coherent interfaces between SrZrxTi1-xO₃ and Ge, in which the band gap of the former is enhanced with Zr content x. We present structural and electrical characterization of SrZrxTi1-xO₃-Ge heterojunctions and demonstrate a type-I band offset can be achieved. These results demonstrate that band gap engineering can be exploited to realize functional semiconductor crystalline oxide heterojunctions.

  13. Band-Gap Engineering at a Semiconductor-Crystalline Oxide Interface

    DOE PAGES

    Jahangir-Moghadam, Mohammadreza; Ahmadi-Majlan, Kamyar; Shen, Xuan; ...

    2015-02-09

    The epitaxial growth of crystalline oxides on semiconductors provides a pathway to introduce new functionalities to semiconductor devices. Key to integrating the functionalities of oxides onto semiconductors is controlling the band alignment at interfaces between the two materials. Here we apply principles of band gap engineering traditionally used at heterojunctions between conventional semiconductors to control the band offset between a single crystalline oxide and a semiconductor. Reactive molecular beam epitaxy is used to realize atomically abrupt and structurally coherent interfaces between SrZrxTi1-xO₃ and Ge, in which the band gap of the former is enhanced with Zr content x. We presentmore » structural and electrical characterization of SrZrxTi1-xO₃-Ge heterojunctions and demonstrate a type-I band offset can be achieved. These results demonstrate that band gap engineering can be exploited to realize functional semiconductor crystalline oxide heterojunctions.« less

  14. Enlarged band gap and electron switch in graphene-based step-barrier structure

    SciTech Connect

    Lu, Wei-Tao Ye, Cheng-Zhi; Li, Wen

    2013-11-04

    We study the transmission through a step-barrier in gapped graphene and propose a method to enlarge the band gap. The step-barrier structure consists of two or more barriers with different strengths. It is found that the band gap could be effectively enlarged and controlled by adjusting the barrier strengths in the light of the mass term. Klein tunneling at oblique incidence is suppressed due to the asymmetry of step-barrier, contrary to the cases in single-barrier and superlattices. Furthermore, a tunable conductance channel could be opened up in the conductance gap, suggesting an application of the structure as an electron switch.

  15. Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice

    NASA Astrophysics Data System (ADS)

    Engel, Edgar A.; Monserrat, Bartomeu; Needs, Richard J.

    2015-12-01

    Electron-phonon coupling in hexagonal and cubic water ice is studied using first-principles quantum mechanical methods. We consider 29 distinct hexagonal and cubic ice proton-orderings with up to 192 molecules in the simulation cell to account for proton-disorder. We find quantum zero-point vibrational corrections to the minimum electronic band gaps ranging from -1.5 to -1.7 eV, which leads to improved agreement between calculated and experimental band gaps. Anharmonic nuclear vibrations play a negligible role in determining the gaps. Deuterated ice has a smaller band-gap correction at zero-temperature of -1.2 to -1.4 eV. Vibrations reduce the differences between the electronic band gaps of different proton-orderings from around 0.17 eV to less than 0.05 eV, so that the electronic band gaps of hexagonal and cubic ice are almost independent of the proton-ordering when quantum nuclear vibrations are taken into account. The comparatively small reduction in the band gap over the temperature range 0 - 240 K of around 0.1 eV does not depend on the proton ordering, or whether the ice is protiated or deuterated, or hexagonal, or cubic. We explain this in terms of the atomistic origin of the strong electron-phonon coupling in ice.

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

    NASA Astrophysics Data System (ADS)

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

    2013-11-01

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

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

    PubMed

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

    2014-10-22

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

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

    PubMed

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

    2016-02-14

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

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

    SciTech Connect

    Kuyyalil, Jithesh; Tangi, Malleswararao; Shivaprasad, S. M.

    2012-10-15

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

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

    NASA Astrophysics Data System (ADS)

    Song, Dongyu; Li, Li; Li, Bingsheng; Sui, Yu; Shen, Aidong

    2016-06-01

    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.

  1. Further improvements in program to calculate electronic properties of narrow band gap materials

    NASA Technical Reports Server (NTRS)

    Patterson, James D.

    1991-01-01

    Research into the properties of narrow band gap materials during the period 15 Jun. to 15 Dec. 1991 is discussed. Abstracts and bibliographies from papers presented during this period are reported. Graphs are provided.

  2. A New Silicon Allotrope with a Direct Band Gap for Optoelectronic Applications

    NASA Astrophysics Data System (ADS)

    Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki; Jena, Puru; Peking University Team; Kawazoe Collaboration; Jena Collaboration

    Silicon structures with direct band gaps have been hotly pursued for solar cell applications. To effectively harvest the sunlight in the whole frequency region, it is a good strategy to use arrays consisting of Si structures with different direct band gaps. However, the structure with a direct band gap about 0.6 eV has been missing according to current progress made in the direction. Here we report our findings that the missing structure can be constructed by using Si triangles as the building blocks, which is stable dynamically and thermally, not only exhibiting the desirable band gap, but also showing high intrinsic mobility and low mass density. These advantages over the existing Si structures would motivate new experimental effort in this direction.

  3. Self-modulated band gap in boron nitride nanoribbons and hydrogenated sheets.

    PubMed

    Zhang, Zhuhua; Guo, Wanlin; Yakobson, Boris I

    2013-07-21

    Using hybrid density functional theory calculations with van der Waals correction, we show that polar boron nitride (BN) nanoribbons can be favorably aligned via substantial hydrogen bonding at the interfaces, which induces significant interface polarizations and sharply reduces the band gap of insulating ribbons well below the silicon range. The interface polarization can strongly couple with carrier doping or applied electric fields, yielding not only enhanced stability but also widely tunable band gap for the aligned ribbons. Furthermore, similar layer-by-layer alignment also effectively reduces the band gap of a 2D hydrogenated BN sheet and even turns it into metal. This novel strategy for band gap control appears to be general in semiconducting composite nanostructures with polar nonbonding interfaces and thus offers unique opportunities for developing nanoscale electronic and optical devices.

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

    PubMed

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

    2008-09-15

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

  5. Leak rate estimation of a resistive plate chamber gap by monitoring absolute pressure

    NASA Astrophysics Data System (ADS)

    Mondal, S.; Datar, V. M.; Kalmani, S. D.; Majumder, G.; Mondal, N. K.; Satyanarayana, B.

    2016-11-01

    The differential pressure of a conventional manometer is highly dependent on the atmospheric pressure. The measurements with a manometer for an extended time period show a large variation due to solar atmospheric tides. However, the measurements of absolute pressure, both outside and inside of a resistive plate chamber (RPC), are independent of each other. By monitoring the absolute pressures, both outside and inside of a RPC, along with the temperature, its leakage rate can be estimated. During the test period, the supporting button spacers inside a RPC may get detached due to some manufacturing defect. This effect can be detected clearly by observing the sudden fall of pressure inside the chamber.

  6. Effects of electron-impurity scattering on density of states in silicene: Impurity bands and band-gap narrowing

    NASA Astrophysics Data System (ADS)

    Liu, S. Y.; Zeng, Y. C.; Lei, X. L.

    2016-12-01

    Considering the interband correlation, we present a generalized multiple-scattering approach of Green's function to investigate the effects of electron-impurity scattering on the density of states in silicene at zero temperature. The reduction of energy gaps in the case of relatively high chemical potential and the transformation of split-off impurity bands into band tails for low chemical potential are found. The dependency of optical conductivity on the impurity concentration is also discussed for frequency within the terahertz regime.

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

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

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

  8. Thermophotovoltaic conversion using selective infrared line emitters and large band gap photovoltaic devices

    DOEpatents

    Brandhorst, Jr., Henry W.; Chen, Zheng

    2000-01-01

    Efficient thermophotovoltaic conversion can be performed using photovoltaic devices with a band gap in the 0.75-1.4 electron volt range, and selective infrared emitters chosen from among the rare earth oxides which are thermally stimulated to emit infrared radiation whose energy very largely corresponds to the aforementioned band gap. It is possible to use thermovoltaic devices operating at relatively high temperatures, up to about 300.degree. C., without seriously impairing the efficiency of energy conversion.

  9. Effects of rotated square inserts on the longitudinal vibration band gaps in thin phononic crystal plates

    NASA Astrophysics Data System (ADS)

    Zhao, Haojiang; Liu, Rongqiang; Shi, Chuang; Guo, Hongwei; Deng, Zongquan

    2015-07-01

    Longitudinal vibration of thin phononic crystal plates with a hybrid square-like array of square inserts is investigated. The plane wave expansion method is used to calculate the vibration band structure of the plate. Numerical results show that rotated square inserts can open several vibration gaps, and the band structures are twisted because of the rotation of inserts. Filling fraction and material of the insert affect the change law of the gap width versus the rotation angles of square inserts.

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

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

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

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

    PubMed

    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.

  12. One-dimensional electromagnetic band gap structures formed by discharge plasmas in a waveguide

    SciTech Connect

    Arkhipenko, V. I.; Simonchik, L. V. Usachonak, M. S.; Callegari, Th.; Sokoloff, J.

    2014-09-28

    We demonstrate the ability to develop one-dimensional electromagnetic band gap structure in X-band waveguide solely by using the positive columns of glow discharges in neon at the middle pressure. Plasma inhomogeneities are distributed uniformly along a typical X-band waveguide with cross section of 23×10 mm². It is shown that electron densities larger than 10¹⁴ cm ⁻³ are needed in order to create an effective one-dimensional electromagnetic band gap structure. Some applications for using the one-dimensional electromagnetic band gap structure in waveguide as a control of microwave (broadband filter and device for variation of pulse duration) are demonstrated.

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2011-09-01

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

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

    PubMed

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

    2014-01-24

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  17. Band gaps by design: Tailoring ZnO based semiconductor alloy films

    NASA Astrophysics Data System (ADS)

    Che, Hui

    This dissertation presents the research on the synthesis of ZnO based ternary semiconductor alloy films with tailored band gaps and the studies in their structural and optical properties. MgxZn1-xO alloys expanded the band gaps from 3.20 eV to deeper UV region of 5.67 eV. While ZnSxO1-x reduced the band gaps into the visible region of 2.9 eV. The alloy films were grown via reactive sputtering deposition, which is a cost effective and environment-friendly technique. An analytical method was developed for accurately determining the band gaps of alloys via transmission spectroscopy. The structural inhomogeneity issues in the Mg xZn1-xO alloys were studied via Selective Resonant Raman Scattering. Urbach energy analysis and Raman spectral line width analysis indicated that structural defects and alloy composition fluctuations in the MgxZn1-xO alloy films are the dominant origins of the localized electronic tail states and the Raman line broadening. While the Raman line broadening due to the anharmonicity of the alloys is not significant. The achievement of ZnSxO1-x alloy films with reduced band gaps paved the way for further research on band gap engineering of ZnO in the visible region.

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

    NASA Astrophysics Data System (ADS)

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

    2012-02-01

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

  19. Indirect band gap in alpha-ZrO2

    SciTech Connect

    Kwok, C.K.; Aita, C.R.

    1990-08-01

    Measurements of the absorption coefficient on the fundamental optical absorption edge of alpha ZrO2 show that an indirect interband transition at 4.70 eV precedes two previously reported direct transitions. This result is in agreement with recent theoretical calculations of the alpha ZrO2 band structure. (JS)

  20. Band gap engineering for single-layer graphene by using slow Li(+) ions.

    PubMed

    Ryu, Mintae; Lee, Paengro; Kim, Jingul; Park, Heemin; Chung, Jinwook

    2016-08-05

    In order to utilize the superb electronic properties of graphene in future electronic nano-devices, a dependable means of controlling the transport properties of its Dirac electrons has to be devised by forming a tunable band gap. We report on the ion-induced modification of the electronic properties of single-layer graphene (SLG) grown on a SiC(0001) substrate by doping low-energy (5 eV) Li(+) ions. We find the opening of a sizable and tunable band gap up to 0.85 eV, which depends on the Li(+) ion dose as well as the following thermal treatment, and is the largest band gap in the π-band of SLG by any means reported so far. Our Li 1s core-level data together with the valence band suggest that Li(+) ions do not intercalate below the topmost graphene layer, but cause a significant charge asymmetry between the carbon sublattices of SLG to drive the opening of the band gap. We thus provide a route to producing a tunable graphene band gap by doping Li(+) ions, which may play a pivotal role in the utilization of graphene in future graphene-based electronic nano-devices.

  1. Origin of band gaps in graphene on hexagonal boron nitride

    PubMed Central

    Jung, Jeil; DaSilva, Ashley M.; MacDonald, Allan H.; Adam, Shaffique

    2015-01-01

    Recent progress in preparing well-controlled two-dimensional van der Waals heterojunctions has opened up a new frontier in materials physics. Here we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed on a hexagonal boron nitride substrate, demonstrating that they are produced by an interesting interplay between structural and electronic properties, including electronic many-body exchange interactions. Our theory is able to explain the observed gap behaviour by accounting first for the structural relaxation of graphene’s carbon atoms when placed on a boron nitride substrate, and then for the influence of the substrate on low-energy π-electrons located at relaxed carbon atom sites. The methods we employ can be applied to many other van der Waals heterojunctions. PMID:25695638

  2. Gap state analysis in electric-field-induced band gap for bilayer graphene

    PubMed Central

    Kanayama, Kaoru; Nagashio, Kosuke

    2015-01-01

    The origin of the low current on/off ratio at room temperature in dual-gated bilayer graphene field-effect transistors is considered to be the variable range hopping in gap states. However, the quantitative estimation of gap states has not been conducted. Here, we report the systematic estimation of the energy gap by both quantum capacitance and transport measurements and the density of states for gap states by the conductance method. An energy gap of ~250 meV is obtained at the maximum displacement field of ~3.1 V/nm, where the current on/off ratio of ~3 × 103 is demonstrated at 20 K. The density of states for the gap states are in the range from the latter half of 1012 to 1013 eV−1cm−2. Although the large amount of gap states at the interface of high-k oxide/bilayer graphene limits the current on/off ratio at present, our results suggest that the reduction of gap states below ~1011 eV−1cm−2 by continual improvement of the gate stack makes bilayer graphene a promising candidate for future nanoelectronic device applications. PMID:26511395

  3. Communication: Excitation band modulation with high-order photonic band gap in PMMA:Eu(TTA)3(TPPO)2 opals

    NASA Astrophysics Data System (ADS)

    Xu, Wen; Bai, Xue; Zhu, Yongsheng; Liu, Tong; Xu, Sai; Dong, Biao; Song, Hongwei

    2013-05-01

    Changes in the excitation spectra of luminescent species inserted in photorefractive crystals as a function of changes in the high-order photonic band gap (PBG) have not been previously observed. In this communication, we present our results monitoring the excitation band of Eu(TTA)3(TPPO)2 inserted in the PMMA opal photonic crystals as a function of the changes in the high-order PBG of the crystals. We find shifts in the complex excitation band and changes in the integrated emission intensity that correlates with shifts in the high-order PBG through coupling to the excitation transition.

  4. Communication: excitation band modulation with high-order photonic band gap in PMMA:Eu(TTA)3(TPPO)2 opals.

    PubMed

    Xu, Wen; Bai, Xue; Zhu, Yongsheng; Liu, Tong; Xu, Sai; Dong, Biao; Song, Hongwei

    2013-05-14

    Changes in the excitation spectra of luminescent species inserted in photorefractive crystals as a function of changes in the high-order photonic band gap (PBG) have not been previously observed. In this communication, we present our results monitoring the excitation band of Eu(TTA)3(TPPO)2 inserted in the PMMA opal photonic crystals as a function of the changes in the high-order PBG of the crystals. We find shifts in the complex excitation band and changes in the integrated emission intensity that correlates with shifts in the high-order PBG through coupling to the excitation transition.

  5. Epitaxial strain tuning of polarization and band gap in perovksite SnTiO3

    NASA Astrophysics Data System (ADS)

    Parker, William; Nakhmanson, Serge; Rondinelli, James

    2012-02-01

    Lead toxicity has motivated theoretical studies of a tin-based perovskite ferroelectric material. Density-functional calculations predict a polar perovksite ground state for SnTiO3. Simulated epitaxial strain up to ±2% tunes both the magnitude of the polar distortion, its direction, and the electronic band gap --- compressive bi-axial strain creates the largest polar distortions, which occur entirely in the growth direction, while tensile strain reorients the polar displacements, enlarging the band gap. Projected densities of states indicate that the broken four-fold symmetry of the non-growth-oriented distortion allows Ti dxy bands to mix with O px bands, further separating the valence band maximum and conduction band minimum. Comparing Sn and Pb in the perovskite titanate phases shows similar trends and suggests that SnTiO3 ferroelectrics may be viable thin-film alternatives to Pb-based oxides.

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

    NASA Astrophysics Data System (ADS)

    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. Band-Gap Design of Quaternary (In,Ga) (As,Sb) Semiconductors via the Inverse-Band-Structure Approach

    SciTech Connect

    Piquini, P.; Graf, P. A.; Zunger. A.

    2008-01-01

    Quaternary systems illustrated by (Ga,In)(As,Sb) manifest a huge configurational space, offering in principle the possibility of designing structures that are lattice matched to a given substrate and have given electronic properties (e.g., band gap) at more than one composition. Such specific configurations were however, hitherto, unidentified. We show here that using a genetic-algorithm search with a pseudopotential Inverse-band-structure (IBS) approach it is possible to identify those configurations that are naturally lattice matching (to GaSb) and have a specific band gap (310 meV) at more than one composition. This is done by deviating from randomness, allowing the IBS to find a partial atomic ordering. This illustrates multitarget design of the electronic structure of multinary systems.

  8. Small band gap superlattices as intrinsic long wavelength infrared detector materials

    NASA Technical Reports Server (NTRS)

    Smith, Darryl L.; Mailhiot, C.

    1990-01-01

    Intrinsic long wavelength (lambda greater than or equal to 10 microns) infrared (IR) detectors are currently made from the alloy (Hg, Cd)Te. There is one parameter, the alloy composition, which can be varied to control the properties of this material. The parameter is chosen to set the band gap (cut-off wavelength). The (Hg, Cd)Te alloy has the zincblend crystal structure. Consequently, the electron and light-hole effective masses are essentially inversely proportional to the band gap. As a result, the electron and light-hole effective masses are very small (M sub(exp asterisk)/M sub o approx. M sub Ih/M sub o approx. less than 0.01) whereas the heavy-hole effective mass is ordinary size (M sub hh(exp asterisk)/M sub o approx. 0.4) for the alloy compositions required for intrinsic long wavelength IR detection. This combination of effective masses leads to rather easy tunneling and relatively large Auger transition rates. These are undesirable characteristics, which must be designed around, of an IR detector material. They follow directly from the fact that (Hg, Cd)Te has the zincblend crystal structure and a small band gap. In small band gap superlattices, such as HgTe/CdTe, In(As, Sb)/InSb and InAs/(Ga,In)Sb, the band gap is determined by the superlattice layer thicknesses as well as by the alloy composition (for superlattices containing an alloy). The effective masses are not directly related to the band gap and can be separately varied. In addition, both strain and quantum confinement can be used to split the light-hole band away from the valence band maximum. These band structure engineering options can be used to reduce tunneling probabilities and Auger transition rates compared with a small band gap zincblend structure material. Researchers discuss the different band structure engineering options for the various classes of small band gap superlattices.

  9. Hydrogenated monolayer graphene with reversible and tunable wide band gap and its field-effect transistor

    PubMed Central

    Son, Jangyup; Lee, Soogil; Kim, Sang Jin; Park, Byung Cheol; Lee, Han-Koo; Kim, Sanghoon; Kim, Jae Hoon; Hong, Byung Hee; Hong, Jongill

    2016-01-01

    Graphene is currently at the forefront of cutting-edge science and technology due to exceptional electronic, optical, mechanical, and thermal properties. However, the absence of a sizeable band gap in graphene has been a major obstacle for application. To open and control a band gap in functionalized graphene, several gapping strategies have been developed. In particular, hydrogen plasma treatment has triggered a great scientific interest, because it has been known to be an efficient way to modify the surface of single-layered graphene and to apply for standard wafer-scale fabrication. Here we show a monolayer chemical-vapour-deposited graphene hydrogenated by indirect hydrogen plasma without structural defect and we demonstrate that a band gap can be tuned as wide as 3.9 eV by varying hydrogen coverage. We also show a hydrogenated graphene field-effect transistor, showing that on/off ratio changes over three orders of magnitude at room temperature. PMID:27830748

  10. Strain-induced band-gap engineering of graphene monoxide and its effect on graphene

    NASA Astrophysics Data System (ADS)

    Pu, H. H.; Rhim, S. H.; Hirschmugl, C. J.; Gajdardziska-Josifovska, M.; Weinert, M.; Chen, J. H.

    2013-02-01

    Using first-principles calculations we demonstrate the feasibility of band-gap engineering in two-dimensional crystalline graphene monoxide (GMO), a recently reported graphene-based material with a 1:1 carbon/oxygen ratio. The band gap of GMO, which can be switched between direct and indirect, is tunable over a large range (0-1.35 eV) for accessible strains. Electron and hole transport occurs predominantly along the zigzag and armchair directions (armchair for both) when GMO is a direct- (indirect-) gap semiconductor. A band gap of ˜0.5 eV is also induced in graphene at the K' points for GMO/graphene hybrid systems.

  11. Hydrogenated monolayer graphene with reversible and tunable wide band gap and its field-effect transistor

    NASA Astrophysics Data System (ADS)

    Son, Jangyup; Lee, Soogil; Kim, Sang Jin; Park, Byung Cheol; Lee, Han-Koo; Kim, Sanghoon; Kim, Jae Hoon; Hong, Byung Hee; Hong, Jongill

    2016-11-01

    Graphene is currently at the forefront of cutting-edge science and technology due to exceptional electronic, optical, mechanical, and thermal properties. However, the absence of a sizeable band gap in graphene has been a major obstacle for application. To open and control a band gap in functionalized graphene, several gapping strategies have been developed. In particular, hydrogen plasma treatment has triggered a great scientific interest, because it has been known to be an efficient way to modify the surface of single-layered graphene and to apply for standard wafer-scale fabrication. Here we show a monolayer chemical-vapour-deposited graphene hydrogenated by indirect hydrogen plasma without structural defect and we demonstrate that a band gap can be tuned as wide as 3.9 eV by varying hydrogen coverage. We also show a hydrogenated graphene field-effect transistor, showing that on/off ratio changes over three orders of magnitude at room temperature.

  12. Terahertz band gaps induced by metal grooves inside parallel-plate waveguides.

    PubMed

    Lee, Eui Su; So, Jin-Kyu; Park, Gun-Sik; Kim, Daisik; Kee, Chul-Sik; Jeon, Tae-In

    2012-03-12

    We report experimental and finite-difference time-domain simulation studies on terahertz (THz) characteristics of band gaps by using metal grooves which are located inside the flare parallel-plate waveguide. The vertically localized standing-wave cavity mode (SWCM) between the upper waveguide surface and groove bottom, and the horizontally localized SWCM between two groove side walls (groove cavity) are observed. The E field intensity of the horizontally localized SWCM in grooves is very strongly enchanced which is three order higher than that of the input THz. The 4 band gaps except the Bragg band gap are caused by the π radian delay (out of phase) between the reflected THz field by grooves and the propagated THz field through the air gap. The measurement and simulation results agree well.

  13. Hybrid functional calculations on the band gap bowing parameters of In x Ga1-x N

    NASA Astrophysics Data System (ADS)

    Mei, Lin; Yixu, Xu; Jianhua, Zhang; Shunqing, Wu; Zizhong, Zhu

    2016-04-01

    The electronic band structures and band gap bowing parameters of In x Ga1-x N are studied by the first-principles method based on the density functional theory. Calculations by employing both the Heyd-Scuseria-Ernzerh of hybrid functional (HSE06) and the Perdew-Burke-Ernzerhof (PBE) one are performed. We found that the theoretical band gap bowing parameter is dependent significantly on the calculation method, especially on the exchange-correlation functional employed in the DFT calculations. The band gap of In x Ga1-x N alloy decreases considerably when the In constituent x increases. It is the interactions of s-s and p-p orbitals between anions and cations that play significant roles in formatting the band gaps bowing. In general, the HSE06 hybrid functional could provide a good alternative to the PBE functional in calculating the band gap bowing parameters. Project supported by the National Natural Science Foundation of China (Nos. 11204257, 21233004) and the China Postdoctoral Science Foundation (No. 2012M511447).

  14. Lamb wave band gaps in one-dimensional radial phononic crystal slabs

    NASA Astrophysics Data System (ADS)

    Li, Yinggang; Chen, Tianning; Wang, Xiaopeng

    2015-10-01

    In this paper, we theoretically investigate the band structures of Lamb wave in one-dimensional radial phononic crystal (PC) slabs composed of a series of alternating strips of epoxy and aluminum. The dispersion relations, the power transmission spectra and the displacement fields of the eigenmodes are calculated by using the finite element method based on two-dimensional axial symmetry models in cylindrical coordinates. The axial symmetry model is validated by three-dimensional finite element model in Cartesian coordinates. Numerical results show that the proposed radial PC slabs can yield several complete band gaps with a variable bandwidth exist for elastic waves. Furthermore, the effects of the filling fraction and the slab thickness on the band gaps are further explored numerically. It is worth observing that, with the increase of the filling fraction, both the lower and upper edges of the band gaps are simultaneously shifted to higher frequency, which results from the enhancement interaction between the rigid resonance of the scatterer and the matrix. The slab thickness is the key parameter for the existence and the width of complete band gaps in the radial PC slabs. These properties of Lamb waves in the radial PC plates can potentially be applied to optimize band gaps, generate filters and design acoustic devices in the rotary machines and structures.

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

    NASA Astrophysics Data System (ADS)

    Legesse, Merid; Fagas, Giorgos; Nolan, Michael

    2017-02-01

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

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  18. Fabrication of 3-D Photonic Band Gap Crystals Via Colloidal Self-Assembly

    NASA Technical Reports Server (NTRS)

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

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

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

    SciTech Connect

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

    2016-07-21

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

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

    NASA Astrophysics Data System (ADS)

    Güler-Kılıç, Sümeyra; Kılıç, ćetin

    2016-10-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  3. Single Material Band Gap Engineering in GaAs Nanowires

    SciTech Connect

    Spirkoska, D.; Abstreiter, G.; Efros, A.; Conesa-Boj, S.; Morante, J. R.; Arbiol, J.; Fontcuberta i Morral, A.

    2011-12-23

    The structural and optical properties of GaAs nanowire with mixed zinc-blende/wurtzite structure are presented. High resolution transmission electron microscopy indicates the presence of a variety of shorter and longer segments of zinc-blende or wurtzite crystal phases. Sharp photoluminescence lines are observed with emission energies tuned from 1.515 eV down to 1.43 eV. The downward shift of the emission peaks can be understood by carrier confinement at the wurtzite/zinc-blende heterojunction, in quantum wells and in random short period superlattices existent in these nanowires, assuming the theoretical staggered band-offset between wurtzite and zinc-blende GaAs.

  4. Acoustic band gaps of the woodpile sonic crystal with the simple cubic lattice

    NASA Astrophysics Data System (ADS)

    Wu, Liang-Yu; Chen, Lien-Wen

    2011-02-01

    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 Γ-X and Γ-X' directions are also presented. The calculated results are compared with the experimental results.

  5. Band-gap measurements of direct and indirect semiconductors using monochromated electrons

    SciTech Connect

    Gu Lin; Srot, Vesna; Sigle, Wilfried; Koch, Christoph; Aken, Peter van; Ruehle, Manfred; Scholz, Ferdinand; Thapa, Sarad B.; Kirchner, Christoph; Jetter, Michael

    2007-05-15

    With the development of monochromators for transmission electron microscopes, valence electron-energy-loss spectroscopy (VEELS) has become a powerful technique to study the band structure of materials with high spatial resolution. However, artifacts such as Cerenkov radiation pose a limit for interpretation of the low-loss spectra. In order to reveal the exact band-gap onset using the VEELS method, semiconductors with direct and indirect band-gap transitions have to be treated differently. For direct semiconductors, spectra acquired at thin regions can efficiently minimize the Cerenkov effects. Examples of hexagonal GaN (h-GaN) spectra acquired at different thickness showed that a correct band-gap onset value can be obtained for sample thicknesses up to 0.5 t/{lambda}. In addition, {omega}-q maps acquired at different specimen thicknesses confirm the thickness dependency of Cerenkov losses. For indirect semiconductors, the correct band-gap onset can be obtained in the dark-field mode when the required momentum transfer for indirect transition is satisfied. Dark-field VEEL spectroscopy using a star-shaped entrance aperture provides a way of removing Cerenkov effects in diffraction mode. Examples of Si spectra acquired by displacing the objective aperture revealed the exact indirect transition gap E{sub g} of 1.1 eV.

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

    SciTech Connect

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

    2008-05-19

    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{sub 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, the variation in band gap scales with lattice volume, but in the 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{sub Ti}{sup q}prime-2V{sub O} partial Schottky complex controls the band gap trend with Ba-rich nonstoichiometries.

  7. Direct Band Gap Gallium Antimony Phosphide (GaSbxP1−x) Alloys

    PubMed Central

    Russell, H. B.; Andriotis, A. N.; Menon, M.; Jasinski, J. B.; Martinez-Garcia, A.; Sunkara, M. K.

    2016-01-01

    Here, we report direct band gap transition for Gallium Phosphide (GaP) when alloyed with just 1–2 at% antimony (Sb) utilizing both density functional theory based computations and experiments. First principles density functional theory calculations of GaSbxP1−x alloys in a 216 atom supercell configuration indicate that an indirect to direct band gap transition occurs at x = 0.0092 or higher Sb incorporation into GaSbxP1−x. Furthermore, these calculations indicate band edge straddling of the hydrogen evolution and oxygen evolution reactions for compositions ranging from x = 0.0092 Sb up to at least x = 0.065 Sb making it a candidate for use in a Schottky type photoelectrochemical water splitting device. GaSbxP1−x nanowires were synthesized by reactive transport utilizing a microwave plasma discharge with average compositions ranging from x = 0.06 to x = 0.12 Sb and direct band gaps between 2.21 eV and 1.33 eV. Photoelectrochemical experiments show that the material is photoactive with p-type conductivity. This study brings attention to a relatively uninvestigated, tunable band gap semiconductor system with tremendous potential in many fields. PMID:26860470

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

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

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

  9. Strain-induced optical band gap variation of SnO2 films

    DOE PAGES

    Rus, Stefania Florina; Ward, Thomas Zac; Herklotz, Andreas

    2016-06-29

    In this paper, thickness dependent strain relaxation effects are utilized to study the impact of crystal anisotropy on the optical band gap of epitaxial SnO2 films grown by pulsed laser deposition on (0001)-oriented sapphire substrates. An X-ray diffraction analysis reveals that all films are under tensile biaxial in-plane strain and that strain relaxation occurs with increasing thickness. Variable angle spectroscopic ellipsometry shows that the optical band gap of the SnO2 films continuously increases with increasing film thickness. This increase in the band gap is linearly related to the strain state of the films, which indicates that the main origin ofmore » the band gap change is strain relaxation. The experimental observation is in excellent agreement with results from density functional theory for biaxial in-plane strain. Our research demonstrates that strain is an effective way to tune the band gap of SnO2 films and suggests that strain engineering is an appealing route to tailor the optical properties of oxide semiconductors.« less

  10. Predicting the band gap of ternary oxides containing 3d10 and 3d0 metals

    NASA Astrophysics Data System (ADS)

    McLeod, J. A.; Moewes, A.; Zatsepin, D. A.; Kurmaev, E. Z.; Wypych, A.; Bobowska, I.; Opasinska, A.; Cholakh, S. O.

    2012-11-01

    We present soft x-ray spectroscopy measurements and electronic structure calculations of ZnTiO3, a ternary oxide that is related to wurtzite ZnO and rutile TiO2. The electronic structure of ZnTiO3 was calculated using a variety of exchange-correlation functionals, and we compare the predicted band gaps of this material obtained from each functional with estimates from our experimental data and optical gaps quoted from the literature. We find that the main hybridizations in the electronic structure of ZnTiO3 can be predicted from the electronic structures of the two binary oxides. We further find that ZnTiO3 has weaker O 2p-Zn 3d repulsion than in ZnO, resulting in a relatively lower valence band maximum and consequently a larger band gap. Although we find a significant core hole shift in the measured O K XAS of ZnTiO3, we provide a simple empirical scheme for estimating the band gap that may prove to be applicable for any d10-d0 ternary oxide, and could be useful in finding a ternary oxide with a band gap tailored to a specific energy.

  11. Hexagonal AlN: Dimensional-crossover-driven band-gap transition

    NASA Astrophysics Data System (ADS)

    Bacaksiz, C.; Sahin, H.; Ozaydin, H. D.; Horzum, S.; Senger, R. T.; Peeters, F. M.

    2015-02-01

    Motivated by a recent experiment that reported the successful synthesis of hexagonal (h ) AlN [Tsipas et al., Appl. Phys. Lett. 103, 251605 (2013), 10.1063/1.4851239], we investigate structural, electronic, and vibrational properties of bulk, bilayer, and monolayer structures of h -AlN by using first-principles calculations. We show that the hexagonal phase of the bulk h -AlN is a stable direct-band-gap semiconductor. The calculated phonon spectrum displays a rigid-layer shear mode at 274 cm-1 and an Eg mode at 703 cm-1, which are observable by Raman measurements. In addition, single-layer h -AlN is an indirect-band-gap semiconductor with a nonmagnetic ground state. For the bilayer structure, A A' -type stacking is found to be the most favorable one, and interlayer interaction is strong. While N -layered h -AlN is an indirect-band-gap semiconductor for N =1 -9 , we predict that thicker structures (N ≥10 ) have a direct band gap at the Γ point. The number-of-layer-dependent band-gap transitions in h -AlN is interesting in that it is significantly different from the indirect-to-direct crossover obtained in the transition-metal dichalcogenides.

  12. Strain-induced optical band gap variation of SnO2 films

    SciTech Connect

    Rus, Stefania Florina; Ward, Thomas Zac; Herklotz, Andreas

    2016-06-29

    In this paper, thickness dependent strain relaxation effects are utilized to study the impact of crystal anisotropy on the optical band gap of epitaxial SnO2 films grown by pulsed laser deposition on (0001)-oriented sapphire substrates. An X-ray diffraction analysis reveals that all films are under tensile biaxial in-plane strain and that strain relaxation occurs with increasing thickness. Variable angle spectroscopic ellipsometry shows that the optical band gap of the SnO2 films continuously increases with increasing film thickness. This increase in the band gap is linearly related to the strain state of the films, which indicates that the main origin of the band gap change is strain relaxation. The experimental observation is in excellent agreement with results from density functional theory for biaxial in-plane strain. Our research demonstrates that strain is an effective way to tune the band gap of SnO2 films and suggests that strain engineering is an appealing route to tailor the optical properties of oxide semiconductors.

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

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

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

  14. Residual stress dependant anisotropic band gap of various (hkl) oriented BaI{sub 2} films

    SciTech Connect

    Kumar, Pradeep; Gulia, Vikash; Vedeshwar, Agnikumar G. E-mail: agvedeshwar@gmail.com

    2013-11-21

    The thermally evaporated layer structured BaI{sub 2} grows in various completely preferred (hkl) film orientations with different growth parameters like film thickness, deposition rate, substrate temperature, etc. which were characterized by structural, morphological, and optical absorption measurements. Structural analysis reveals the strain in the films and the optical absorption shows a direct type band gap. The varying band gaps of these films were found to scale linearly with their strain. The elastic moduli and other constants were also calculated using Density Functional Theory (DFT) formalism implemented in WIEN2K code for converting the strain into residual stress. Films of different six (hkl) orientations show stress free anisotropic band gaps (2.48–3.43 eV) and both positive and negative pressure coefficients. The negative and positive pressure coefficients of band gap are attributed to the strain in I-I (or Ba-Ba or both) and Ba-I distances along [hkl], respectively. The calculated band gaps are also compared with those experimentally determined. The average pressure coefficient of band gap of all six orientations (−0.071 eV/GPa) found to be significantly higher than that calculated (−0.047 eV/GPa) by volumetric pressure dependence. Various these issues have been discussed with consistent arguments. The electron effective mass m{sub e}{sup *}=0.66m{sub 0} and the hole effective mass m{sub h}{sup *}=0.53m{sub 0} have been determined from the calculated band structure.

  15. Experimental and Theoretical Studies of Photonic Band gaps in Artificial Opals

    NASA Astrophysics Data System (ADS)

    Wang, Lei; Yin, Ming; Arammash, Fouzi; Datta, Timir

    2014-03-01

    Photonic band structure and band gap were numerically computed for a number of closed packed simple cubic and Hexagonal arrangements of non-conducting spheres using ``Finite Difference Time Domain Method''. Photonic gaps were found to exist in the simple cubic overlapping spheres with index of refraction (n) >3.2. Gap increased linearly from 0.117- 0.161 (1/micron) as lattice constant decreased from 0.34 to 0.18 (micron). For less than 3.2 no gap was obtained. Also, no gaps were obtained for hexagonal packing. UV-VIS reflectivity and transmission measurements of polycrystalline bulk artificial opals of silica (SiO2) spheres, ranging from 250nm to 300nm in sphere diameter indicate a reflection peak in the 500-600 nm regimes. Consistent with photonic band gap behavior we find that reflectivity is enhanced in the same wavelength where transmission is reduced. To the best of our knowledge this is the first observation of photonic gap in the visible wave length under ambient conditions. The wave length at the reflectance peak increases with the diameter of the SiO2 spheres, and is approximately twice the diameter following Bragg reflection. DOD Award No 60177-RT-H from ARO.

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

    NASA Astrophysics Data System (ADS)

    Aly, Arafa H.; Mehaney, Ahmed

    2016-11-01

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

  17. Band gap engineering of Zn based II-VI semiconductors through uniaxial strain

    NASA Astrophysics Data System (ADS)

    Yadav, Satyesh; Ramprasad, Rampi

    2012-02-01

    The electronic structure of bulk wurtzitic ZnX (X=O, S, Se, and Te) under uniaxial strain along the [0001] direction is investigated using hybrid density functional theory calculations and many-body perturbation theory. It is found that uniaxial tensile and large compressive strains decrease the band gap, similar to what has been predicted by semilocal density functional theory (DFT) calculations [Yadav et. al, Phys. Rev. B, 81, 144120 (2010)]. Moreover, the change in the band gap under uniaxial strains predicted by semilocal DFT is in good quantitative agreement with the present results at all strains considered, thereby bringing a measure of redemption to conventional (semi)local DFT descriptions of the electronic structure of at least this class of insulators. The present results have important implications for band gap engineering through strain, especially for complex systems containing a large number of atoms (e.g., nanowires) for which higher-level calculations may be too computationally intensive.

  18. General band gap condition in one-dimensional resonator-based acoustic metamaterial

    NASA Astrophysics Data System (ADS)

    Liu, Yafei; Hou, Zhilin; Fu, Xiujun

    2016-03-01

    A one-dimensional model for resonator-based acoustic metamaterials is introduced. The condition for band gap in such kind of structure is obtained. According to this condition, the dispersion relation is in general a result of the scattering phase and propagating phase. The phenomenon that the band gap is less dependent on lattice structure appears only in the special system in which the coupling between the resonators and the host medium is weak enough. For strong coupled systems, the dispersion of wave can be significantly adjusted by the propagating phase. Based on the understanding, a general guide for band gap optimization is given and the mechanism for structures with the defect states at subwavelength scale is revealed.

  19. Numerical study of a highly efficient solar cell with graded band gap design

    NASA Astrophysics Data System (ADS)

    Tan, Ming-Hsuan; Tseng, Hung-Ruei; Kuo, Chien-Ting; Hsu, Shun-Chieh; Lo, Yen-Hua; Tsai, Che-Pin; Cheng, Yuh-Jen; Lin, Chien-Chung

    2015-05-01

    A linearly graded band gap design in the intrinsic layer of a p-i-n solar cell is studied numerically. An ideal model using Matlab® is built and the device performance is calculated using continuity equations and an effective band gap model under various band gap combinations. The power conversion efficiency (PCE) can be as high as 30.21%, while the abrupt junction reference device only exhibits 29.25% under the same parameters. This design is also evaluated using the commercial TCAD software APSYS®, and the calculations show optimal efficiency enhancements of about 1.14-fold that of the abrupt junction device in an AlAs/GaAs system and 2.05-fold that in an InGaN/GaN system.

  20. Method of manufacturing flexible metallic photonic band gap structures, and structures resulting therefrom

    DOEpatents

    Gupta, Sandhya; Tuttle, Gary L.; Sigalas, Mihail; McCalmont, Jonathan S.; Ho, Kai-Ming

    2001-08-14

    A method of manufacturing a flexible metallic photonic band gap structure operable in the infrared region, comprises the steps of spinning on a first layer of dielectric on a GaAs substrate, imidizing this first layer of dielectric, forming a first metal pattern on this first layer of dielectric, spinning on and imidizing a second layer of dielectric, and then removing the GaAs substrate. This method results in a flexible metallic photonic band gap structure operable with various filter characteristics in the infrared region. This method may be used to construct multi-layer flexible metallic photonic band gap structures. Metal grid defects and dielectric separation layer thicknesses are adjusted to control filter parameters.

  1. On the energetic dependence of charge separation in low-band-gap polymer/fullerene blends.

    PubMed

    Dimitrov, Stoichko D; Bakulin, Artem A; Nielsen, Christian B; Schroeder, Bob C; Du, Junping; Bronstein, Hugo; McCulloch, Iain; Friend, Richard H; Durrant, James R

    2012-11-07

    The energetic driving force required to drive charge separation across donor/acceptor heterojunctions is a key consideration for organic optoelectronic devices. Herein we report a series of transient absorption and photocurrent experiments as a function of excitation wavelength and temperature for two low-band-gap polymer/fullerene blends to study the mechanism of charge separation at the donor/acceptor interface. For the blend that exhibits the smallest donor/acceptor LUMO energy level offset, the photocurrent quantum yield falls as the photon excitation energy is reduced toward the band gap, but the yield of bound, interfacial charge transfer states rises. This interplay between bound and free charge generation as a function of initial exciton energy provides key evidence for the role of excess energy in driving charge separation of direct relevance to the development of low-band-gap polymers for enhanced solar light harvesting.

  2. Two-dimensional SiP: an unexplored direct band-gap semiconductor

    NASA Astrophysics Data System (ADS)

    Zhang, Shengli; Guo, Shiying; Huang, Yaxin; Zhu, Zhen; Cai, Bo; Xie, Meiqiu; Zhou, Wenhan; Zeng, Haibo

    2017-03-01

    Inspired by successful synthesis of layered SiP single crystals in experiments, we explore their structures, electronic properties, and stability using first-principles calculations. The interlayer interaction in layered SiP crystal is weak, thus mechanical exfoliation is viable. We find that SiP undergoes a transition from an indirect band gap to a direct band gap of 2.59 eV when thinned from bulk to a monolayer. Our calculations also show that SiP monolayers are both dynamically and thermodynamically stable even at elevated temperatures. Monolayer SiP, with simultaneously high stability and a large direct band gap, is a promising candidate for two-dimensional blue light emitting diodes.

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

    NASA Astrophysics Data System (ADS)

    Lanzillo, Nicholas A.; Breneman, Curt M.

    2016-08-01

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

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

    NASA Astrophysics Data System (ADS)

    Prabhash, P. G.; Nair, Swapna S.

    2016-05-01

    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.

  5. A new silicon phase with direct band gap and novel optoelectronic properties

    SciTech Connect

    Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki; Jena, Puru

    2015-09-23

    Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. Additionally, this new allotrope displays large carrier mobility (~104 cm/V · s) at room temperature and a low mass density (1.71 g/cm3), making it a promising material for optoelectronic applications.

  6. A new silicon phase with direct band gap and novel optoelectronic properties

    DOE PAGES

    Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki; ...

    2015-09-23

    Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. Additionally, this new allotrope displays large carrier mobility (~104 cm/V · s) at room temperature and a low mass density (1.71 g/cm3), making it a promising materialmore » for optoelectronic applications.« less

  7. Polarization-induced hole doping in wide-band-gap uniaxial semiconductor heterostructures.

    PubMed

    Simon, John; Protasenko, Vladimir; Lian, Chuanxin; Xing, Huili; Jena, Debdeep

    2010-01-01

    Impurity-based p-type doping in wide-band-gap semiconductors is inefficient at room temperature for applications such as lasers because the positive-charge carriers (holes) have a large thermal activation energy. We demonstrate high-efficiency p-type doping by ionizing acceptor dopants using the built-in electronic polarization in bulk uniaxial semiconductor crystals. Because the mobile hole gases are field-ionized, they are robust to thermal freezeout effects and lead to major improvements in p-type electrical conductivity. The new doping technique results in improved optical emission efficiency in prototype ultraviolet light-emitting-diode structures. Polarization-induced doping provides an attractive solution to both p- and n-type doping problems in wide-band-gap semiconductors and offers an unconventional path for the development of solid-state deep-ultraviolet optoelectronic devices and wide-band-gap bipolar electronic devices of the future.

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

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

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

  9. Donor-acceptor type low band gap polymers: polysquaraines and related systems.

    PubMed

    Ajayaghosh, Ayyappanpillai

    2003-07-01

    In recent years, considerable effort has been directed towards the synthesis of conjugated polymers with low optical band gaps (Eg), since they show intrinsic electrical conductivity. One of the approaches towards the designing of such polymers is the use of strong donor and acceptor monomers at regular arrangements in the repeating units, which has limited success in many cases. An alternate strategy is the use of organic dyes, having inherently low HUMO-LUMO separation, as building blocks. Extension of conjugation in organic dyes is therefore expected to result in oligomers and polymers with near infrared absorption, which is a signature of low band gaps. Squaraine dyes are ideal candidates for this purpose due to their unique optical properties. This review highlights the recent developments in the area of donor-acceptor type low band gap polymers with special emphasis on polysquaraines.

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

    PubMed

    Lanzillo, Nicholas A; Breneman, Curt M

    2016-08-17

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

  11. Zero-coupling-gap degenerate band edge resonators in silicon photonics.

    PubMed

    Burr, Justin R; Reano, Ronald M

    2015-11-30

    Resonances near regular photonic band edges are limited by quality factors that scale only to the third power of the number of periods. In contrast, resonances near degenerate photonic band edges can scale to the fifth power of the number periods, yielding a route to significant device miniaturization. For applications in silicon integrated photonics, we present the design and analysis of zero-coupling-gap degenerate band edge resonators. Complex band diagrams are computed for the unit cell with periodic boundary conditions that convey characteristics of propagating and evanescent modes. Dispersion features of the band diagram are used to describe changes in resonance scaling in finite length resonators. Resonators with non-zero and zero coupling gap are compared. Analysis of quality factor and resonance frequency indicates significant reduction in the number of periods required to observe fifth power scaling when degenerate band edge resonators are realized with zero-coupling-gap. High transmission is achieved by optimizing the waveguide feed to the resonator. Compact band edge cavities with large optical field distribution are envisioned for light emitters, switches, and sensors.

  12. Enhancement of band gap and photoconductivity in gamma indium selenide due to swift heavy ion irradiation

    SciTech Connect

    Sreekumar, R.; Jayakrishnan, R.; Sudha Kartha, C.; Vijayakumar, K. P.; Khan, S. A.; Avasthi, D. K.

    2008-01-15

    {gamma}-In{sub 2}Se{sub 3} thin films prepared at different annealing temperatures ranging from 100 to 400 deg. C were irradiated using 90 MeV Si ions with a fluence of 2x10{sup 13} ions/cm{sup 2}. X-ray diffraction analysis proved that there is no considerable variation in structural properties of the films due to the swift heavy ion irradiation. However, photosensitivity and sheet resistance of the samples increased due to irradiation. It was observed that the sample, which had negative photoconductivity, exhibited positive photoconductivity, after irradiation. The negative photoconductivity was due to the combined effect of trapping of photoexcited electrons, at traps 1.42 and 1.26 eV, above the valence band along with destruction of the minority carriers, created during illumination, through recombination. Photoluminescence study revealed that the emission was due to the transition to a recombination center, which was 180 meV above the valence band. Optical absorption study proved that the defects present at 1.42 and 1.26 eV were annealed out by the ion beam irradiation. This allowed photoexcited carriers to reach conduction band, which resulted in positive photoconductivity. Optical absorption study also revealed that the band gap of the material could be increased by ion beam irradiation. The sample prepared at 400 deg. C had a band gap of 2 eV and this increased to 2.8 eV, after irradiation. The increase in optical band gap was attributed to the annihilation of localized defect bands, near the conduction and valence band edges, on irradiation. Thus, by ion beam irradiation, one could enhance photosensitivity as well as the optical band gap of {gamma}-In{sub 2}Se{sub 3}, making the material suitable for applications such as window layer in solar cells.

  13. Photonic band gaps of increasingly isotropic crystals at high dielectric contrasts

    NASA Astrophysics Data System (ADS)

    Pollard, M. E.; Parker, G. J.; Charlton, M. D. B.

    2012-03-01

    Photonic band gaps (PBGs) are highly sensitive to lattice geometry and dielectric contrast. Here, we report theoretical and experimental confirmation of PBGs in photonic crystals (PhCs) with increasing levels of structural isotropy. These structures are: a standard 6-fold hexagonal lattice, a locally 12-fold Archimedean-like crystal, a true quasicrystal generated by non-random Stampfli inflation, and a biomimetic crystal based on Fibonacci phyllotaxis. Experimental transmission spectra were obtained at microwave frequencies using high-index alumina (ɛ = 9.61) rods. The results were compared to FDTD-calculated transmission spectra and PWE-calculated band diagrams. Wide and deep (> 60dB) primary TM gaps present in all high-index samples are related to reciprocal space vectors with the strongest Fourier coefficients. Their mid-gap frequencies are largely independent of the lattice geometry for comparable fill factors, whereas the gap ratios shrink monotonically as structural isotropy increases.

  14. Intrinsic coherent acoustic phonons in the indirect band gap semiconductors Si and GaP

    NASA Astrophysics Data System (ADS)

    Ishioka, Kunie; Rustagi, Avinash; Höfer, Ulrich; Petek, Hrvoje; Stanton, Christopher J.

    2017-01-01

    We report on the intrinsic optical generation and detection of coherent acoustic phonons at (001)-oriented bulk Si and GaP without metallic phonon transducer structures. Photoexcitation by a 3.1-eV laser pulse generates a normal strain pulse within the ˜100 -nm penetration depth in both semiconductors. The subsequent propagation of the strain pulse into the bulk is detected with a delayed optical probe as a periodic modulation of the optical reflectivity. Our theoretical model explains quantitatively the generation of the acoustic pulse via the deformation potential electron-phonon coupling and detection in terms of the spatially and temporally dependent photoelastic effect for both semiconductors. Comparison with our theoretical model reveals that the experimental strain pulses have finite buildup times of 1.2 and 0.4 ps for GaP and Si, which are comparable with the time required for the photoexcited electrons to transfer to the lowest X valley through intervalley scattering. The deformation potential coupling related to the acoustic pulse generation for GaP is estimated to be twice as strong as that for Si from our experiments, in agreement with a previous theoretical prediction.

  15. Structural studies and band gap tuning of Cr doped ZnO nanoparticles

    SciTech Connect

    Srinet, Gunjan Kumar, Ravindra Sajal, Vivek

    2014-04-24

    Structural and optical properties of Cr doped ZnO nanoparticles prepared by the thermal decomposition method are presented. X-ray diffraction studies confirmed the substitution of Cr on Zn sites without changing the wurtzite structure of ZnO. Modified form of W-H equations was used to calculate various physical parameters and their variation with Cr doping is discussed. Significant red shift was observed in band gap, i.e., a band gap tuning is achieved by Cr doping which could eventually be useful for optoelectronic applications.

  16. Spin and band-gap engineering in copper-doped BN sheet

    SciTech Connect

    Zhou, Yungang; Jiang, Xiao-dong; Duan, G.; Gao, Fei; Zu, Xiaotao T.

    2010-05-01

    We perform first-principles calculations on single- or dimer-Cu absorbed BN sheet. It was found that the band gap of BN sheet was reduced due to the emergence of certain impurity states arisen from Cu atom. The value of band gap depends on the adsorption configuration. Unpaired electron in absorbed single-Cu atom is polarized causing a magnetic moment of 1.0 μB, while no magnetic moment has been detected after dimer-Cu adsorption. Comparing the analogous carbon nanostructures, Cu-absorbed BN sheet is more resistant to oxidation and thereby is more experimentally accessible.

  17. Below-band-gap absorption in undoped GaAs at elevated temperatures

    NASA Astrophysics Data System (ADS)

    Wasiak, Michał; Walczak, Jarosław; Motyka, Marcin; Janiak, Filip; Trajnerowicz, Artur; Jasik, Agata

    2017-02-01

    This paper presents results of measurements of optical absorption in undoped epitaxial GaAs for photon energies below the band gap. Absorption spectra were determined from transmission spectra of a thin GaAs layer at several temperatures between 25 °C and 205 °C. We optimized our experiment to investigate the long-wavelength part of the spectrum, where the absorption is relatively low, but significant from the point of view of applications of GaAs in semiconductor lasers. Absorption of 100 cm-1 was observed over 30 nm below the band gap at high temperatures.

  18. Band gaps and dielectric constants of amorphous hafnium silicates: A first-principles investigation

    NASA Astrophysics Data System (ADS)

    Broqvist, Peter; Pasquarello, Alfredo

    2007-02-01

    Electronic band gaps and dielectric constants are obtained for amorphous hafnium silicates using first-principles methods. Models of amorphous (HfO2)x(SiO2)1-x for varying x are generated by ab initio molecular dynamics. The calculations show that the presence of Hf gives rise to low-lying conduction states which explain the experimentally observed nonlinear dependence of the band gap on hafnium content. Static dielectric constants are found to depend linearly on x, supporting recent experimental data.

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

    NASA Astrophysics Data System (ADS)

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

    2015-02-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

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

  2. A Hybrid Density Functional Theory Study of Band Gap Tuning in ZnO through Pressure

    NASA Astrophysics Data System (ADS)

    Zhao, Bo-Tao; Duan, Yi-Feng; Shi, Hong-Liang; Qin, Li-Xia; Shi, Li-Wei; Tang, Gang

    2012-11-01

    The structural transformation and electronic structure of ZnO under hydrostatic pressure are investigated using the HSE06 range-separated hybrid functional. We show that wurtzite ZnO under pressure undergoes a structural transition to a graphite-like phase. We also find that the band gap of wurtzite phase is always direct, whereas the new phase can display either direct or indirect band structure. Furthermore, the gap is greatly enhanced by pressure and no semi-metallic phase is observed. This is drastically different from our previous results of AlN and GaN [Appl. Phys. Lett. 100 (2012) 022104].

  3. On the origin of a band gap in compounds of diamond-like structures.

    PubMed

    Köhler, Jürgen; Deng, Shuiquan; Lee, Changhoon; Whangbo, Myung-Hwan

    2007-03-19

    Electronic structure calculations were performed to examine the origin of a band gap present in most 18-electron half-Heusler compounds and its absence in NaTl. In these compounds of diamond-like structures, the presence or absence of a band gap is controlled by the sigma antibonding between the valence s orbitals, and the bonding characteristics of the late-main-group elements depend on the extent of their ns/np hybridization. Implications of these observations on the formal oxidation state and the covalent bonding of the transition-metal atoms in 18-electron half-Heusler and related compounds were discussed.

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

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

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

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

    PubMed

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

    2011-12-14

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

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

    PubMed

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

    2014-02-10

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

  7. Band gap bowing in NixMg1−xO

    PubMed Central

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

    2016-01-01

    Epitaxial transparent oxide NixMg1−xO (0 ≤ x ≤ 1) thin films were grown on MgO(100) substrates by pulsed laser deposition. High-resolution synchrotron X-ray diffraction and high-resolution transmission electron microscopy analysis indicate that the thin films are compositionally and structurally homogeneous, forming a completely miscible solid solution. Nevertheless, the composition dependence of the NixMg1−xO optical band gap shows a strong non-parabolic bowing with a discontinuity at dilute NiO concentrations of x < 0.037. Density functional calculations of the NixMg1−xO band structure and the density of states demonstrate that deep Ni 3d levels are introduced into the MgO band gap, which significantly reduce the fundamental gap as confirmed by optical absorption spectra. These states broaden into a Ni 3d-derived conduction band for x > 0.074 and account for the anomalously large band gap narrowing in the NixMg1−xO solid solution system. PMID:27503808

  8. Ultrafast carrier dynamics, band-gap renormalization, and optical properties of ZnSe nanowires

    NASA Astrophysics Data System (ADS)

    Tian, Lin; di Mario, Lorenzo; Zannier, Valentina; Catone, Daniele; Colonna, Stefano; O'Keeffe, Patrick; Turchini, Stefano; Zema, Nicola; Rubini, Silvia; Martelli, Faustino

    2016-10-01

    In this paper, we present a comprehensive study of the carrier dynamics and optical properties of ZnSe nanowires (NWs). The transparency of the sample, obtained by the growth of the ZnSe NWs on glass, allowed us to perform transmittance, reflectance, photoluminescence (PL), time-resolved PL, and pump-probe transient absorption spectroscopy on as-grown samples. All measurements were performed at room temperature. Strong light trapping at the band-gap energy has been observed in reflectivity measurements. Fast transient absorption bleaching due to band filling and band-gap renormalization has been observed. The band-gap renormalization has a rise time constant of about 170 fs and a decay time of about 4 ps. Fast transient absorption bleaching is also observed at energies below the band gap, suggesting that intrinsic processes prevail over extrinsic photoinduced transitions in our high-quality NWs. The PL reveals the presence at room temperature of excitonic emission that shows a decay time of 0.5 ns. All of these features indicate that our ZnSe NWs have quality comparable to epitaxial films and can be used for optical devices and nonlinear optics.

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

    PubMed

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

    2014-09-22

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

  10. Photoluminescence Investigation of the Indirect Band Gap and Shallow Impurities in Icosahedral B12As2

    DTIC Science & Technology

    2012-07-05

    could be effectively modulated by Si doping, resulting in p-type con- duction with a 105 reduction in the resistivity. Hall effect measurements on...conductivity has not been reported in IBA. Other studies of IBA have focused on thermal properties ( Seebeck coefficient, thermal conductivity16...2.56 eV), leading to a band gap of 3.2 eV. This band structure calculation also provided the first determination of the electron and hole effective

  11. Direct Enumeration Studies of Band-Gap Properties of AlxGayIn1-x-yP Alloys

    SciTech Connect

    Jungthawan, S.; Limpijumnong, S.; Collins, R.; Kim, K.; Graf, P. A.; Turner, J. A.

    2009-01-01

    A band-gap database of a large number of configurations ({approx} 5000 configurations) is produced for AlGaInP semiconductor alloys using an empirical pseudopotential method. Our results show that the band gap of this alloy system depends strongly on the cation arrangement in addition to the alloy composition. This indicates that one can effectively control the band gap of alloys by controlling the cation arrangement. For each given alloy composition, the range of possible band gaps is calculated and the complete database of the results is made available online. Our results show that a majority of alloy configurations have band gaps smaller than those predicted by Vegard's law. Our results also show several systematic trends in the band gaps depending on the superlattice directions.

  12. Resolution characteristics of graded band-gap reflection-mode AlGaAs/GaAs photocathodes

    NASA Astrophysics Data System (ADS)

    Deng, Wenjuan; Zhang, Daoli; Zou, Jijun; Peng, Xincun; Wang, Weilu; Zhang, Yijun; Chang, Benkang

    2015-12-01

    The modulation transfer function (MTF) of graded band-gap AlGaAs/GaAs reflection-mode photocathodes was determined using two-dimensional Poisson and continuity equations through numerical method. Based on the MTF model, we calculated the theoretical MTF of graded and uniform band-gap reflection-mode photocathodes. We then analyzed the effects of Al composition, wavelength of incident photon, and thicknesses of AlGaAs and GaAs layer on the resolution. Calculation results show that graded band-gap structures can increase the resolution of reflection-mode photocathodes. When the spatial frequency is 800 lp/mm and wavelength is 600 nm, the resolution of graded band-gap photocathodes generally increases by 15.4-29.6%. The resolution improvement of graded band-gap photocathodes is attributed to the fact that the built-in electric field in graded band-gap photocathodes reduces the lateral diffusion distance of photoelectrons.

  13. Generalized thermoelastic wave band gaps in phononic crystals without energy dissipation

    NASA Astrophysics Data System (ADS)

    Wu, Ying; Yu, Kaiping; Li, Xiao; Zhou, Haotian

    2016-01-01

    We present a theoretical investigation of the thermoelastic wave propagation in the phononic crystals in the context of Green-Nagdhi theory by taking thermoelastic coupling into account. The thermal field is assumed to be steady. Thermoelastic wave band structures of 3D and 2D are derived by using the plane wave expansion method. For the 2D problem, the anti-plane shear mode is not affected by the temperature difference. Thermoelastic wave bands of the in-plane x-y mode are calculated for lead/silicone rubber, aluminium/silicone rubber, and aurum/silicone rubber phononic crystals. The new findings in the numerical results indicate that the thermoelastic wave bands are composed of the pure elastic wave bands and the thermal wave bands, and that the thermal wave bands can serve as the low boundary of the first band gap when the filling ratio is low. In addition, for the lead/silicone rubber phononic crystals the effects of lattice type (square, rectangle, regular triangle, and hexagon) and inclusion shape (circle, oval, and square) on the normalized thermoelastic bandwidth and the upper/lower gap boundaries are analysed and discussed. It is concluded that their effects on the thermoelastic wave band structure are remarkable.

  14. The ground-based H-, K-, and L-band absolute emission spectra of HD 209458b

    SciTech Connect

    Zellem, Robert T.; Griffith, Caitlin A.; Deroo, Pieter; Swain, Mark R.; Waldmann, Ingo P.

    2014-11-20

    Here we explore the capabilities of NASA's 3.0 m Infrared Telescope Facility (IRTF) and SpeX spectrometer and the 5.08 m Hale telescope with the TripleSpec spectrometer with near-infrared H-, K-, and L-band measurements of HD 209458b's secondary eclipse. Our IRTF/SpeX data are the first absolute L-band spectroscopic emission measurements of any exoplanet other than the hot Jupiter HD 189733b. Previous measurements of HD 189733b's L band indicate bright emission hypothesized to result from non-LTE CH{sub 4} ν{sub 3} fluorescence. We do not detect a similar bright 3.3 μm feature to ∼3σ, suggesting that fluorescence does not need to be invoked to explain HD 209458b's L-band measurements. The validity of our observation and reduction techniques, which decrease the flux variance by up to 2.8 orders of magnitude, is reinforced by 1σ agreement with existent Hubble/NICMOS and Spitzer/IRAC1 observations that overlap the H, K, and L bands, suggesting that both IRTF/SpeX and Palomar/TripleSpec can measure an exoplanet's emission with high precision.

  15. Effect of band gap engineering in anionic-doped TiO2 photocatalyst

    NASA Astrophysics Data System (ADS)

    Samsudin, Emy Marlina; Abd Hamid, Sharifah Bee

    2017-01-01

    A simple yet promising strategy to modify TiO2 band gap was achieved via dopants incorporation which influences the photo-responsiveness of the photocatalyst. The mesoporous TiO2 was successfully mono-doped and co-doped with nitrogen and fluorine dopants. The results indicate that band gap engineering does not necessarily requires oxygen substitution with nitrogen or/and fluorine, but from the formation of additional mid band and Ti3+ impurities states. The formation of oxygen vacancies as a result of modified color centres and Ti3+ ions facilitates solar light absorption and influences the transfer, migration and trapping of the photo-excited charge carriers. The synergy of dopants in co-doped TiO2 shows better optical properties relative to single N and F doped TiO2 with c.a 0.95 eV band gap reduction. Evidenced from XPS, the synergy between N and F in the co-doped TiO2 uplifts the valence band towards the conduction band. However, the photoluminescence data reveals poorer electrons and holes separation as compared to F-doped TiO2. This observation suggests that efficient solar light harvesting was achievable via N and F co-doping, but excessive defects could act as charge carriers trapping sites.

  16. Spatial Variation of Dosimetric Leaf Gap and Its Impact on Absolute Dose Delivery in Radiation Therapy

    NASA Astrophysics Data System (ADS)

    Kumaraswamy, Lalith

    During dose calculation, the Eclipse Treatment Planning system (TPS) retracts the MLC leaf positions by half of the dosimetric leaf gap (DLG) value (measured at central axis) for all leaf positions in a dynamic MLC plan to accurately model the rounded leaf ends. The aim of this study is to map the variation of DLG along the travel path of each MLC leaf pair and quantify how this variation impacts delivered dose. 6 MV DLG values were measured for all MLC leaf pairs in increments of 1.0 cm (from the line intersecting the CAX and perpendicular to MLC motion) to 13.0 cm off axis distance at depth of dose maximum. The measurements were performed on two Varian LINACs, both employing the Millennium 120-leaf MLC. The measurements were performed at several locations in the beam with both a Sun Nuclear MapCHECK device and a PTW pinpoint ion chamber. The measured DLGs for the middle 40 MLC leaf pairs (each 0.5 cm width) at positions along a line through the CAX and perpendicular to MLC leaf travel direction were very similar, varying maximally by only 0.2 mm. The outer 20 MLC leaf pairs (each 1.0 cm width) have much lower DLG values, about 0.3 to 0.5 mm lower than the central MLC leaf pair, at their respective central line position. Overall, the mean and the maximum variation between the 0.5 cm width leaves and the 1.0 cm width leaf pairs is 0.32 mm and 0.65 mm, respectively. The spatial variation in DLG is caused by the variation of intraleaf transmission through MLC leaves. Fluences centered on the CAX would not be affected since DLG does not vary; but any fluences residing significantly off-axis with narrow sweeping leaves may exhibit significant dose differences. This is due to the fact that there are differences in DLG between the true DLG exhibited by the 1.0 cm width outer leaves and the constant DLG value utilized by the TPS for dose calculation. Since there are large differences in DLG between the 0.5 cm width leaf pairs and 1.0 cm width leaf pairs, there is a need

  17. Absolute Line Intensities in the 2nu(0)(2) Band of Cyanogen Chloride at 12.8 µm.

    PubMed

    Lepère; Blanquet; Walrand

    2000-05-01

    Absolute line intensities were measured at high resolution with a tunable diode laser. This work concerns the 2nu(0)(2) band of cyanogen chloride ClCN in the region 780 cm(-1). Thirty-two absorption lines were recorded for the isotopomer (35)ClCN and 26 lines for (37)ClCN. From the analysis of these lines, we determined the bandstrengths: S(0)(v) = 19.14 cm(-2) atm(-1) for (35)ClCN and S(0)(v) = 17.84 cm(-2) atm(-1) for (37)ClCN. Copyright 2000 Academic Press.

  18. Crystalline sulfur dioxide: Crystal field splittings, absolute band intensities and complex refractive indices derived from infrared spectra

    NASA Technical Reports Server (NTRS)

    Khanna, R. K.; Zhao, Guizhi

    1986-01-01

    The infrared absorption spectra of thin crystalline films of sulfur dioxide at 90 K are reported in the 2700 to 450/cm region. The observed multiplicity of the spectral features in the regions of fundamentals is attributed to factor group splittings of the modes in a biaxial crystal lattice and the naturally present minor S-34, S-36, and O-18 isotopic species. Complex refractive indices determined by an iterative Kramers-Kronig analysis of the extinction data, and absolute band strengths derived from them, are also reported in this region.

  19. Electron beam fracturing of ZnO nanostructures and modification in optical band gap

    NASA Astrophysics Data System (ADS)

    Siraj, K.; Kanwal, M.; Saleem, S.; Pedarnig, J. D.; Rafique, M. S.; Naseem, S.

    2016-12-01

    In our previous work Siraj et al (J Alloys Comp 563:280, 2013), the electron beam irradiation at high energies (6-15 MeV) at constant dose of 30 Gy produced Zinc oxide elongated nanostructures and modified the optical band gap energies accordingly. In present work, those nanostructures are fractured to smaller sizes by increasing the electron doses to 100 and 200 Gy. The very high temperature gradient induced stresses are responsible for further fracturing of ZnO nanostructures. The optical properties such as refractive index, extinction coefficient and optical band gap energy have also modified when higher cumulative electron doses are used. The optical band gap energies are found to decrease by increasing electron doses at all used electron energies, which is attributed to the production of different defects like vacancies, unpaired bonds, nanovoids, nanocavities, nanocracks and high strains. The electron beam irradiation of ZnO thin films at used parameters (doses and energies) is found to be plausible technique to produce nanostructures of different sizes and accordingly modify the optical band gap energies. The results can be beneficial for optical and optoelectronic industries.

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

    PubMed

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

    2015-03-02

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

  1. MoS2-WSe2 Hetero Bilayer: Possibility of Mechanical Strain Induced Band Gap Engineering

    NASA Astrophysics Data System (ADS)

    Sharma, Munish; Kumar, Ashok; Ahluwalia, P. K.

    2014-03-01

    The tunability of band gap in two-dimensional (2D) hetero-bilayers of MoS2-WSe2 with applied mechanical strains (in-plane and out-of-plane) in two different types of stackings (AA and AB) have been investigated in the framework of density functional theory (DFT). The in-plane biaxial tensile strain is found to reduce electronic band gap monotonically and rendered considered bilayer into metal at 6% of applied strain. The transition pressure required for complete semiconductor-to-metal transition is found to be of 7.89 GPa while tensile strength of the reported hetero-bilayer has been calculated 10 GPa at 25% strain. In case of vertical compression strain, 16 GPa pressure has been calculated for complete semiconductor-to-metal transition. The band-gap deformation potentials and effective masses (electron and hole) have been found to posses strong dependence on the type of applied strain. Such band gap engineering in controlled manner (internal control by composition and external control by applied strain) makes the considered hetero-bilayer as a strong candidate for the application in variety of nano scale devices.

  2. Vacuum-ultraviolet characterization of sapphire, ALON, and spinel near the band gap

    NASA Astrophysics Data System (ADS)

    Thomas, Michael E.; Tropf, William J.; Gilbert, Summer L.

    1993-06-01

    UV properties are presently investigated immediately above and below the bandgap of polycrystalline Al23O27N5 (ALON), single-crystal sapphire, and spinel. Room-temperature transmission and reflection measurements are conducted on these materials from 2500 to 1150 A; the corresponding absorption coefficient at the band gap is represented by Urbach's rule.

  3. Nanoscale mapping of optical band gaps using monochromated electron energy loss spectroscopy.

    PubMed

    Zhan, W; Granerød, C S; Venkatachalapathy, V; Johansen, K M H; Jensen, I J T; Kuznetsov, A Yu; Prytz, Ø

    2017-03-10

    Using monochromated electron energy loss spectroscopy in a probe-corrected scanning transmission electron microscope we demonstrate band gap mapping in ZnO/ZnCdO thin films with a spatial resolution below 10 nm and spectral precision of 20 meV.

  4. Band gap engineering in penta-graphene by substitutional doping: first-principles calculations

    NASA Astrophysics Data System (ADS)

    Berdiyorov, G. R.; Dixit, G.; Madjet, M. E.

    2016-11-01

    Using density functional theory, we study the structure, electronic properties and partial charges of a new carbon allotrope—penta-graphene (PG)—substitutionally doped by Si, B and N. We found that the electronic bandgap of PG can be tuned down to 0.2 eV due to carbon substitutions. However, the value of the band gap depends on the type and location of the dopants. For example, the strongest reduction of the band gap is obtained for Si substitutions on the top (bottom) plane of PG, whereas the substitution in the middle plane of PG has a smaller effect on the band gap of the material. Surface termination with fluorine and hydroxyl groups results in an increase of the band gap together with considerable changes in electronic and atomic partial charge distribution in the system. Our findings, which are robust against the use of different exchange-correlation functionals, indicate the possibility of tuning the bandgap of the material to make it suitable for optoelectronic and photovoltaic applications.

  5. Size effect on the electronic and optical band gap of CdSe QD

    SciTech Connect

    Sisodia, Namita

    2014-04-24

    Present paper deals with a critical and comprehensive analysis of the dependence of photo emission (PE) electronic band gap and optical absorption (OA) excitonic band gap on the size of CdSe QD, via connecting it with excitonic absorbance wavelength. Excitonic absorbance wavelength is determined through an empirical fit of established experimental evidences. Effective excitonic charge and Bohr radius is determined as a function of size. Increase in size of the CdSe QD results in greater Bohr radius and smaller effective excitonic charge. Excitonic binding energy as a degree of size of QD is also calculated which further relates with the difference in PE electronic and OA optical band gaps. It is also shown that with increase in size of CdSe QD, the excitonic binding energy decreases which consequently increases differences in two band gaps. Our results are very well comparable with the established results. Explanation for the origin of the unusual optical properties of CdSe QD has been also discussed.

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

    NASA Technical Reports Server (NTRS)

    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.

  7. Band gap and conductivity evaluation of carbon nanotube with hematite for green ammonia synthesis

    NASA Astrophysics Data System (ADS)

    Rehman, Zia Ur; Yahya, Noorhana; Shafie, A'fza; Soleimani, Hassan; Alqasim, Bilal Hassan; Irfan, Muhammad; Qureshi, Saima

    2016-11-01

    To understand the change in number of electrons, band gap and total energy in the catalyst simulation was performed using Cambridge Serial Total Energy Package (CASTEP). Two catalyst were taken into consideration namely carbon nanotubes (CNTs) and hematite adjacent with CNTs. The simulation based study of the adsorption of hydrogen and nitrogen with reference to change in number of electron and band-gap of carbon nano tubes and hematite mixed with carbon nanotubes was not reported in literature. For this reason carbon nanotubes band gap for different chirality and number of walls was calculated through simulation. After that simulation for number of electrons, band gap and average total energy of CNTs alone and a mixture hematite with CNTs was performed before and after adsorption of hydrogen and nitrogen. From simulation the number of electrons were found to be doubled for hematite mixed with CNTs and average total energy was also increased as compared to similar parameter for CNTs without hematite. In conclusion the hematite with carbon nanotubes is preferred candidate for ammonia synthesis using magnetic induction method. Ammonia synthesis was done using MIM. Ammonia yield was quantified by Kjaldal method.

  8. The size and shape dependence of graphene domain on the band gap of h-BN

    NASA Astrophysics Data System (ADS)

    Kah, Cherno B.; Kirigeehanage, Saliya; Smith, Lyle; Yu, Ming; Jayanthi, Chakram; Wu, Shiyu

    2015-03-01

    This talk will report the structure and electronic characteristics of graphene domains embedded in a hexagonal boron-nitride sheet (h-BN) with the goal of band gap tuning in mind. Different shapes (triangular, circular, rectangular, and irregular structures) and sizes of graphene domains will be studied. The structural stability of these hybrid materials will be studied using a new generation of the semi-empirical Hamiltonian (SCED-LCAO) developed recently [arXiv:1408.4931]. It is found that the lattice mismatch between graphene domains and the h-BN generates large strain, leading to a reduction or a symmetry breaking of the hexagonal lattice of h-BN. The extent of the strain depends on the shape and the size of the domain, as well as on the distribution of B atoms around the graphene domains. This effect also creates impurity states in the band gap of h-BN and changes the band gap. The interplay between the shape and size of graphene domains, the local strain around the domains and the nature of the impurity states on the band gap of h-BN will be discussed.

  9. Tunable band gap photoluminescence from atomically thin transition-metal dichalcogenide alloys.

    PubMed

    Chen, Yanfeng; Xi, Jinyang; Dumcenco, Dumitru O; Liu, Zheng; Suenaga, Kazu; Wang, Dong; Shuai, Zhigang; Huang, Ying-Sheng; Xie, Liming

    2013-05-28

    Band gap engineering of atomically thin two-dimensional (2D) materials is the key to their applications in nanoelectronics, optoelectronics, and photonics. Here, for the first time, we demonstrate that in the 2D system, by alloying two materials with different band gaps (MoS2 and WS2), tunable band gap can be obtained in the 2D alloys (Mo(1-x)W(x)S(2) monolayers, x = 0-1). Atomic-resolution scanning transmission electron microscopy has revealed random arrangement of Mo and W atoms in the Mo(1-x)W(x)S(2) monolayer alloys. Photoluminescence characterization has shown tunable band gap emission continuously tuned from 1.82 eV (reached at x = 0.20) to 1.99 eV (reached at x = 1). Further, density functional theory calculations have been carried out to understand the composition-dependent electronic structures of Mo(1-x)W(x)S(2) monolayer alloys.

  10. Optical study of the band structure of wurtzite GaP nanowires

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    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.

  11. Nanoscale mapping of optical band gaps using monochromated electron energy loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhan, W.; Granerød, C. S.; Venkatachalapathy, V.; Johansen, K. M. H.; Jensen, I. J. T.; Kuznetsov, A. Yu; Prytz, Ø.

    2017-03-01

    Using monochromated electron energy loss spectroscopy in a probe-corrected scanning transmission electron microscope we demonstrate band gap mapping in ZnO/ZnCdO thin films with a spatial resolution below 10 nm and spectral precision of 20 meV.

  12. Band gap engineering in penta-graphene by substitutional doping: first-principles calculations.

    PubMed

    Berdiyorov, G R; Dixit, G; Madjet, M E

    2016-11-30

    Using density functional theory, we study the structure, electronic properties and partial charges of a new carbon allotrope-penta-graphene (PG)-substitutionally doped by Si, B and N. We found that the electronic bandgap of PG can be tuned down to 0.2 eV due to carbon substitutions. However, the value of the band gap depends on the type and location of the dopants. For example, the strongest reduction of the band gap is obtained for Si substitutions on the top (bottom) plane of PG, whereas the substitution in the middle plane of PG has a smaller effect on the band gap of the material. Surface termination with fluorine and hydroxyl groups results in an increase of the band gap together with considerable changes in electronic and atomic partial charge distribution in the system. Our findings, which are robust against the use of different exchange-correlation functionals, indicate the possibility of tuning the bandgap of the material to make it suitable for optoelectronic and photovoltaic applications.

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

    PubMed

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

    2014-12-15

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

  14. Energy Dependence and Scaling Property of Localization Length near a Gapped Flat Band

    NASA Astrophysics Data System (ADS)

    Ge, Li; Tureci, Hakan

    Using a tight-binding model for a one-dimensional Lieb lattice, we show that the localization length near a gapped flat band behaves differently from the typical Urbach tail in a band gap: instead of reducing monotonically as the energy E moves away from the flat band energy Ef, the presence of the flat band causes a nonmonotonic energy dependence of the localization length. This energy dependence follows a scaling property when the energy is within the spread (W) of uniformly distributed diagonal disorder, i.e. the localization length is only a function of (E-Ef)/W. Several other lattices are compared to distinguish the effect of the flat band on the localization length, where we eliminate, shift, or duplicate the flat band, without changing the dispersion relations of other bands. Using the top right element of the Green's matrix, we derive an analytical relation between the density of states and the localization length, which shines light on these properties of the latter, including a summation rule for its inverse. This work is partially supported by NSF under Grant No. DMR-1506987.

  15. Band-gap engineering in TiO2-based ternary oxides

    NASA Astrophysics Data System (ADS)

    McLeod, J. A.; Green, R. J.; Kurmaev, E. Z.; Kumada, N.; Belik, A. A.; Moewes, A.

    2012-05-01

    The electronic structure of several ternary oxides (Sn2TiO4, PbTiO3, Bi2Ti4O11, and Bi4Ti3O12) based on binary lone-pair oxides (SnO, PbO, and Bi2O3) and a d0 oxide (TiO2) is investigated using soft x-ray spectroscopy and electronic-structure calculations. We find that the valence band of these ternary oxides is bounded by bonding (at the bottom of the valence band) and antibonding (at the top of the valence band) O 2p lone-pair ns (Sn 5s, Pb 6s, Bi 6s) hybridized states, while the conduction band is dominated by unoccupied Ti 3d states. The existence of these two features is found to be independent of crystal structure or stoichiometry. The calculated hybridization in the bonding O 2p lone-pair ns states is in reasonable agreement with the relative intensity of this feature in the measured x-ray emission spectra. The dominant influence on the conduction and the valence bands in the ternary oxides is due to different aspects of the electronic structure in the parent binary oxides, and we consequently find that the band gap of the ternary oxide is found to be a stoichiometric-weighed addition of the band gaps of the parent oxides.

  16. Photonic band gap in isotropic hyperuniform disordered solids with low dielectric contrast.

    PubMed

    Man, Weining; Florescu, Marian; Matsuyama, Kazue; Yadak, Polin; Nahal, Geev; Hashemizad, Seyed; Williamson, Eric; Steinhardt, Paul; Torquato, Salvatore; Chaikin, Paul

    2013-08-26

    We report the first experimental demonstration of a TE-polarization photonic band gap (PBG) in a 2D isotropic hyperuniform disordered solid (HUDS) made of dielectric media with a dielectric index contrast of 1.6:1, very low for PBG formation. The solid is composed of a connected network of dielectric walls enclosing air-filled cells. Direct comparison with photonic crystals and quasicrystals permitted us to investigate band-gap properties as a function of increasing rotational isotropy. We present results from numerical simulations proving that the PBG observed experimentally for HUDS at low index contrast has zero density of states. The PBG is associated with the energy difference between complementary resonant modes above and below the gap, with the field predominantly concentrated in the air or in the dielectric. The intrinsic isotropy of HUDS may offer unprecedented flexibilities and freedom in applications (i. e. defect architecture design) not limited by crystalline symmetries.

  17. Bonds, bands, and band gaps in tetrahedrally bonded ternary compounds: The role of group V lone pairs

    NASA Astrophysics Data System (ADS)

    Do, Dat T.; Mahanti, S. D.

    2014-04-01

    An interesting class of tetrahedrally coordinated ternary compounds has attracted considerable interest because of their potential as good thermoelectrics. These compounds, denoted as I3-V-VI4, contain three monovalent-I (Cu, Ag), one nominally pentavalent-V (P, As, Sb, Bi), and four hexavalent-VI (S, Se, Te) atoms; and can be visualized as ternary derivatives of the II-VI zincblende or wurtzite semiconductors, obtained by starting from four unit cells of (II-VI) and replacing four type II atoms by three type I and one type V atoms. We find that nominally pentavalent-V atoms are effectively trivalent and their lone (ns2) pairs play an active role in opening up a gap. The lowest conduction band is a strongly hybridized anti-bonding combination of the lone pair and chalcogen (VI) p-states. The magnitude of the gap is sensitive to the nature of the exchange interaction (local vs non-local) and the V-VI distance. We also find that the electronic structure near the gap can be reproduced extremely well within a local theory if one can manipulate the position of the filled d bands of Cu and Ag by an effectively large U.

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

    SciTech Connect

    Sutherland, Kevin Jerome

    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.

  19. Vibration band gaps for elastic metamaterial rods using wave finite element method

    NASA Astrophysics Data System (ADS)

    Nobrega, E. D.; Gautier, F.; Pelat, A.; Dos Santos, J. M. C.

    2016-10-01

    Band gaps in elastic metamaterial rods with spatial periodic distribution and periodically attached local resonators are investigated. New techniques to analyze metamaterial systems are using a combination of analytical or numerical method with wave propagation. One of them, called here wave spectral element method (WSEM), consists of combining the spectral element method (SEM) with Floquet-Bloch's theorem. A modern methodology called wave finite element method (WFEM), developed to calculate dynamic behavior in periodic acoustic and structural systems, utilizes a similar approach where SEM is substituted by the conventional finite element method (FEM). In this paper, it is proposed to use WFEM to calculate band gaps in elastic metamaterial rods with spatial periodic distribution and periodically attached local resonators of multi-degree-of-freedom (M-DOF). Simulated examples with band gaps generated by Bragg scattering and local resonators are calculated by WFEM and verified with WSEM, which is used as a reference method. Results are presented in the form of attenuation constant, vibration transmittance and frequency response function (FRF). For all cases, WFEM and WSEM results are in agreement, provided that the number of elements used in WFEM is sufficient to convergence. An experimental test was conducted with a real elastic metamaterial rod, manufactured with plastic in a 3D printer, without local resonance-type effect. The experimental results for the metamaterial rod with band gaps generated by Bragg scattering are compared with the simulated ones. Both numerical methods (WSEM and WFEM) can localize the band gap position and width very close to the experimental results. A hybrid approach combining WFEM with the commercial finite element software ANSYS is proposed to model complex metamaterial systems. Two examples illustrating its efficiency and accuracy to model an elastic metamaterial rod unit-cell using 1D simple rod element and 3D solid element are

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

    SciTech Connect

    Heera, Pawan; Kumar, Anup; Sharma, Raman

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Absolutely continuous energy bands in the electronic spectrum of quasiperiodic ladder networks

    NASA Astrophysics Data System (ADS)

    Pal, Biplab; Chakrabarti, Arunava

    2014-06-01

    The energy spectra of quasi-one-dimensional quasiperiodic ladder networks are analyzed within a tight binding description. In particular, we show that if a selected set of sites in each strand of a ladder is tunnel-coupled to quantum dots attached from a side, absolutely continuous subbands can be generated in the spectrum if one tunes the dot potential and the dot-strand coupling appropriately. Typical cases with two and three strand Fibonacci ladders in the off-diagonal model are discussed in details. We also discuss the possibility of re-entrant insulator-metal transition for a general n-strand ladder network when n becomes large. The observations remain valid even in the case of a disordered ladder network with the same constituents. The results are analytically exact.

  3. Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration

    PubMed Central

    Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

    2016-01-01

    We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses. PMID:27812035

  4. Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration.

    PubMed

    Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

    2016-11-04

    We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses.

  5. Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniques

    NASA Astrophysics Data System (ADS)

    Limaye, Mukta V.; Chen, S. C.; Lee, C. Y.; Chen, L. Y.; Singh, Shashi B.; Shao, Y. C.; Wang, Y. F.; Hsieh, S. H.; Hsueh, H. C.; Chiou, J. W.; Chen, C. H.; Jang, L. Y.; Cheng, C. L.; Pong, W. F.; Hu, Y. F.

    2015-06-01

    The correlation between sub-band gap absorption and the chemical states and electronic and atomic structures of S-hyperdoped Si have been extensively studied, using synchrotron-based x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge spectroscopy (XANES), extended x-ray absorption fine structure (EXAFS), valence-band photoemission spectroscopy (VB-PES) and first-principles calculation. S 2p XPS spectra reveal that the S-hyperdoped Si with the greatest (~87%) sub-band gap absorption contains the highest concentration of S2- (monosulfide) species. Annealing S-hyperdoped Si reduces the sub-band gap absorptance and the concentration of S2- species, but significantly increases the concentration of larger S clusters [polysulfides (Sn2-, n > 2)]. The Si K-edge XANES spectra show that S hyperdoping in Si increases (decreased) the occupied (unoccupied) electronic density of states at/above the conduction-band-minimum. VB-PES spectra evidently reveal that the S-dopants not only form an impurity band deep within the band gap, giving rise to the sub-band gap absorption, but also cause the insulator-to-metal transition in S-hyperdoped Si samples. Based on the experimental results and the calculations by density functional theory, the chemical state of the S species and the formation of the S-dopant states in the band gap of Si are critical in determining the sub-band gap absorptance of hyperdoped Si samples.

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

    SciTech Connect

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

    2015-09-14

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

  7. Band gap widening at random CIGS grain boundary detected by valence electron energy loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Keller, Debora; Buecheler, Stephan; Reinhard, Patrick; Pianezzi, Fabian; Bissig, Benjamin; Carron, Romain; Hage, Fredrik; Ramasse, Quentin; Erni, Rolf; Tiwari, Ayodhya N.

    2016-10-01

    Cu(In,Ga) Se2 (CIGS) thin film solar cells have demonstrated very high efficiencies, but still the role of nanoscale inhomogeneities in CIGS and their impact on the solar cell performance are not yet clearly understood. Due to the polycrystalline structure of CIGS, grain boundaries are very common structural defects that are also accompanied by compositional variations. In this work, we apply valence electron energy loss spectroscopy in scanning transmission electron microscopy to study the local band gap energy at a grain boundary in the CIGS absorber layer. Based on this example, we demonstrate the capabilities of a 2nd generation monochromator that provides a very high energy resolution and allows for directly relating the chemical composition and the band gap energy across the grain boundary. A band gap widening of about 20 meV is observed at the grain boundary. Furthermore, the compositional analysis by core-loss EELS reveals an enrichment of In together with a Cu, Ga and Se depletion at the same area. The experimentally obtained results can therefore be well explained by the presence of a valence band barrier at the grain boundary.

  8. Band gap modulation of transition-metal dichalcogenide MX2 nanosheets by in-plane strain

    NASA Astrophysics Data System (ADS)

    Su, Xiangying; Ju, Weiwei; Zhang, Ruizhi; Guo, Chongfeng; Yong, Yongliang; Cui, Hongling; Li, Xiaohong

    2016-10-01

    The electronic properties of quasi-two-dimensional honeycomb structures of MX2 nanosheets (M=Mo, W and X=S, Se) subjected to in-plane biaxial strain have been investigated using first-principles calculations. We demonstrate that the band gap of MX2 nanosheets can be widely tuned by applying tensile or compressive strain, and these ultrathin materials undergo a universal reversible semiconductor-metal transition at a critical strain. Compared to WX2, MoX2 need a smaller critical tensile strain for the band gap close, and MSe2 need a smaller critical compressive strain than MS2. Taking bilayer MoS2 as an example, the variation of the band structures was studied and the semiconductor-metal transition involves a slightly different physical mechanism between tensile and compressive strain. The ability to tune the band gap of MX2 nanosheets in a controlled fashion over a wide range of energy opens up the possibility for its usage in a range of application.

  9. Band gap reduction in GaNSb alloys due to the anion mismatch

    SciTech Connect

    Veal, T.D.; Piper, L.F.J.; Jollands, S.; Bennett, B.R.; Jefferson, P.H.; Thomas, P.A.; McConville, C.F.; Murdin, B.N.; Buckle, L.; Smith, G.W.; Ashley, T.

    2005-09-26

    The structural and optoelectronic properties in GaN{sub x}Sb{sub 1-x} alloys (0{<=}x<0.02) grown by molecular-beam epitaxy on both GaSb substrates and AlSb buffer layers on GaAs substrates are investigated. High-resolution x-ray diffraction (XRD) and reciprocal space mapping indicate that the GaN{sub x}Sb{sub 1-x} epilayers are of high crystalline quality and the alloy composition is found to be independent of substrate, for identical growth conditions. The band gap of the GaNSb alloys is found to decrease with increasing nitrogen content from absorption spectroscopy. Strain-induced band-gap shifts, Moss-Burstein effects, and band renormalization were ruled out by XRD and Hall measurements. The band-gap reduction is solely due to the substitution of dilute amounts of highly electronegative nitrogen for antimony, and is greater than observed in GaNAs with the same N content.

  10. Quantum size confinement in gallium selenide nanosheets: band gap tunability versus stability limitation.

    PubMed

    Andres-Penares, Daniel; Cros, Ana; Martínez-Pastor, Juan P; Sánchez-Royo, Juan F

    2017-04-28

    Gallium selenide is one of the most promising candidates to extend the window of band gap values provided by existing two-dimensional semiconductors deep into the visible potentially reaching the ultraviolet. However, the tunability of its band gap by means of quantum confinement effects is still unknown, probably due to poor nanosheet stability. Here, we demonstrate that the optical band gap band of GaSe nanosheets can be tuned by ∼120 meV from bulk to 8 nm thick. The luminescent response of very thin nanosheets (<8 nm) is strongly quenched due to early oxidation. Oxidation favors the emergence of sharp material nanospikes at the surface attributable to strain relaxation. Simultaneously, incorporated oxygen progressively replaces selenium giving rise to Ga2O3, with a residual presence of Ga2Se3 that tends to desorb. These results are relevant for the development and design of visible/ultraviolet electronics and optoelectronics with tunable functionalities based on atomically thin GaSe.

  11. Enhanced thermoelectric performance in the Rashba semiconductor BiTeI through band gap engineering.

    PubMed

    Wu, Lihua; Yang, Jiong; Zhang, Tiansong; Wang, Shanyu; Wei, Ping; Zhang, Wenqing; Chen, Lidong; Yang, Jihui

    2016-03-02

    Rashba semiconductors are of great interest in spintronics, superconducting electronics and thermoelectrics. Bulk BiTeI is a new Rashba system with a giant spin-split band structure. 2D-like thermoelectric response has been found in BiTeI. However, as optimizing the carrier concentration, the bipolar effect occurs at elevated temperature and deteriorates the thermoelectric performance of BiTeI. In this paper, band gap engineering in Rashba semiconductor BiTeI through Br-substitution successfully reduces the bipolar effect and improves the thermoelectric properties. By utilizing the optical absorption and Burstein-Moss-effect analysis, we find that the band gap in Rashba semiconductor BiTeI increases upon bromine substitution, which is consistent with theoretical predictions. Bipolar transport is mitigated due to the larger band gap, as the thermally-activated minority carriers diminish. Consequently, the Seebeck coefficient keeps increasing with a corresponding rise in temperature, and thermoelectric performance can thus be enhanced with a ZT  =  0.5 at 570 K for BiTeI0.88Br0.12.

  12. Enhanced thermoelectric performance in the Rashba semiconductor BiTeI through band gap engineering

    NASA Astrophysics Data System (ADS)

    Wu, Lihua; Yang, Jiong; Zhang, Tiansong; Wang, Shanyu; Wei, Ping; Zhang, Wenqing; Chen, Lidong; Yang, Jihui

    2016-03-01

    Rashba semiconductors are of great interest in spintronics, superconducting electronics and thermoelectrics. Bulk BiTeI is a new Rashba system with a giant spin-split band structure. 2D-like thermoelectric response has been found in BiTeI. However, as optimizing the carrier concentration, the bipolar effect occurs at elevated temperature and deteriorates the thermoelectric performance of BiTeI. In this paper, band gap engineering in Rashba semiconductor BiTeI through Br-substitution successfully reduces the bipolar effect and improves the thermoelectric properties. By utilizing the optical absorption and Burstein-Moss-effect analysis, we find that the band gap in Rashba semiconductor BiTeI increases upon bromine substitution, which is consistent with theoretical predictions. Bipolar transport is mitigated due to the larger band gap, as the thermally-activated minority carriers diminish. Consequently, the Seebeck coefficient keeps increasing with a corresponding rise in temperature, and thermoelectric performance can thus be enhanced with a ZT  =  0.5 at 570 K for BiTeI0.88Br0.12.

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

    The direct optical band gap of semiconductors is traditionally measured by extrapolating the linear region of the square of the absorption curve to the x-axis, and a variation of this method, developed by Tauc, has also been widely used. The application of the Tauc method to crystalline materials is rooted in misconception-and traditional linear extrapolation methods are inappropriate for use on degenerate semiconductors, where the occupation of conduction band energy states cannot be ignored. A new method is proposed for extracting a direct optical band gap from absorption spectra of degenerately-doped bulk semiconductors. This method was applied to pseudo-absorption spectra of Sn-doped In2O3 (ITO)-converted from diffuse-reflectance measurements on bulk specimens. The results of this analysis were corroborated by room-temperature photoluminescence excitation measurements, which yielded values of optical band gap and Burstein-Moss shift that are consistent with previous studies on In2O3 single crystals and thin films.

  14. Ordering-induced direct-to-indirect band gap transition in multication semiconductor compounds

    NASA Astrophysics Data System (ADS)

    Park, Ji-Sang; Yang, Ji-Hui; Kanevce, Ana; Choi, Sukgeun; Repins, Ingrid L.; Wei, Su-Huai

    2015-02-01

    Using first-principles calculations and symmetry analysis, we show that as cation atoms in a zinc blende-based semiconductor are replaced through atomic mutation (e.g., evolve from ZnSe to CuGaS e2 to C u2ZnGeS e4 ), the band gaps of the semiconductors will become more and more indirect because of the band splitting at the zone boundary, and in some cases will even form the segregating states. For example, although ZnSe is a direct band gap semiconductor, quaternary compounds C u2ZnGeS e4 and C u2ZnSnS e4 can be indirect band gap semiconductors if they form the primitive mixed CuAu ordered structures. We also find that the stability and the electronic structure of the quaternary polytypes with different atomic ordering are almost negative-linearly correlated. We suggest that these intrinsic properties of the multication semiconductors can have a large influence on the design and device performance of these materials.

  15. Landsat-7 ETM+ On-Orbit Reflective-Band Radiometric Stability and Absolute Calibration

    NASA Technical Reports Server (NTRS)

    Markham, Brian L.; Thome, Kurtis J.; Barsi, Julia A.; Kaita, Ed; Helder, Dennis L.; Barker, John L.

    2003-01-01

    The Landsat-7 spacecraft carries the Enhanced Thematic Mapper Plus (ETM+) instrument. This instrument images the Earth land surface in eight parts of the electromagnetic spectrum, termed spectral bands. These spectral images are used to monitor changes in the land surface, so a consistent relationship, i.e., calibration, between the image data and the Earth surface brightness, is required. The ETM+ has several on- board calibration devices that are used to monitor this calibration. The best on-board calibration source employs a flat white painted reference panel and has indicated changes of between 0.5% to 2% per year in the ETM+ response, depending on the spectral band. However, most of these changes are believed to be caused by changes in the reference panel, as opposed to changes in the instrument's sensitivity. This belief is based partially on on-orbit calibrations using instrumented ground sites and observations of "invariant sites", hyper-arid sites of the Sahara and Arabia. Changes determined from these data sets indicate are 0.1% - 0.6% per year. Tests and comparisons to other sensors also indicate that the uncertainty of the calibration is at the 5% level.

  16. P and n-type microcrystalline semiconductor alloy material including band gap widening elements, devices utilizing same

    DOEpatents

    Guha, Subhendu; Ovshinsky, Stanford R.

    1988-10-04

    An n-type microcrystalline semiconductor alloy material including a band gap widening element; a method of fabricating p-type microcrystalline semiconductor alloy material including a band gap widening element; and electronic and photovoltaic devices incorporating said n-type and p-type materials.

  17. Simple Experimental Verification of the Relation between the Band-Gap Energy and the Energy of Photons Emitted by LEDs

    ERIC Educational Resources Information Center

    Precker, Jurgen W.

    2007-01-01

    The wavelength of the light emitted by a light-emitting diode (LED) is intimately related to the band-gap energy of the semiconductor from which the LED is made. We experimentally estimate the band-gap energies of several types of LEDs, and compare them with the energies of the emitted light, which ranges from infrared to white. In spite of…

  18. Theoretical studies on the thermopower of semiconductors and low-band-gap crystalline polymers

    NASA Astrophysics Data System (ADS)

    Gao, Xing; Uehara, Kentaro; Klug, Dennis D.; Patchkovskii, S.; Tse, John S.; Tritt, Terry M.

    2005-09-01

    A numerical procedure has been used for the prediction of the Seebeck coefficient of a crystalline material based on its electronic band structure with the goal of testing this approach on the simple polymers polythiophene and polyaminosquaraine. The investigation of several representative materials, including the crystalline solids β-Zn4Sb3 and AuIn2 and these polymers, under ambient or external pressure conditions, indicates that Seebeck coefficients can be calculated within the rigid-band and constant-relaxation-time approximations. The results are in semiquantitative agreement with experiment and provide a basic understanding of the mechanisms for thermopower. These theoretical results together with previous similar studies show that band-structure calculations can be used to guide the rational design of high-performance thermoelectric materials. We also suggest that appropriate and specially engineered doped low-band-gap polymers may be promising candidate materials for thermoelectric applications.

  19. High band gap 2-6 and 3-5 tunneling junctions for silicon multijunction solar cells

    NASA Technical Reports Server (NTRS)

    Daud, Taher (Inventor); Kachare, Akaram H. (Inventor)

    1986-01-01

    A multijunction silicon solar cell of high efficiency is provided by providing a tunnel junction between the solar cell junctions to connect them in series. The tunnel junction is comprised of p+ and n+ layers of high band gap 3-5 or 2-6 semiconductor materials that match the lattice structure of silicon, such as GaP (band gap 2.24 eV) or ZnS (band gap 3.6 eV). Each of which has a perfect lattice match with silicon to avoid defects normally associated with lattice mismatch.

  20. An investigation of the optical constants and band gap of chromium disilicide

    NASA Technical Reports Server (NTRS)

    Bost, M. C.; Mahan, John E.

    1988-01-01

    Optical properties of polycrystalline thin films of CrSi2 grown by the diffusion couple method on silicon substrates were investigated. An analysis of the energy dependence of the absorption coefficient indicates that the material is an indirect forbidden gap semiconductor with a band-gap value of slightly less than 0.35 eV. This result was confirmed by measurements of the temperature dependence of the intrinsic conductivity. The value of the bandgap corresponds well to an important window of transparency in the earth's atmosphere (3-5 microns), which makes the material of potential interest for IR detector applications.

  1. Strong interaction of a transmon qubit with 1D band-gap medium

    NASA Astrophysics Data System (ADS)

    Liu, Yanbing; Sadri, Darius; Houck, Andrew; Bronn, Nicholas; Chow, Jerry; Gambetta, Jay

    2015-03-01

    The spontaneous emission of an atom will be enhanced or suppressed in a structured vacuum, commonly known as Purcell effect. Moreover, in a frequency gap medium, an atom-photon bound state is predicted to exist in the band gap, causing the localization of light. Here using the technology of circuit quantum electrodynamics, we experimentally explore this mechanism by fabricating a microwave step-impedance filter strongly coupled to a transmon qubit. Standard transmission and spectroscopy measurements support the existence of atom-photon bound states in the system. Correlation measurement shows that the atom-photon interaction induces strong correlation of the transmitted light through the system. Thanks support from IARPA

  2. Formation of Bragg band gaps in anisotropic phononic crystals analyzed with the empty lattice model

    SciTech Connect

    Wang, Yan -Feng; Maznev, Alexei; Laude, Vincent

    2016-05-11

    Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic and anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg "planes" which give rise to phononic band gaps, are generally not flat planes but curved surfaces. Lastly, the same is found to be the case for avoided crossings between shear (transverse) and longitudinal bands in the isotropic case.

  3. Formation of Bragg band gaps in anisotropic phononic crystals analyzed with the empty lattice model

    DOE PAGES

    Wang, Yan -Feng; Maznev, Alexei; Laude, Vincent

    2016-05-11

    Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic andmore » anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg "planes" which give rise to phononic band gaps, are generally not flat planes but curved surfaces. Lastly, the same is found to be the case for avoided crossings between shear (transverse) and longitudinal bands in the isotropic case.« less

  4. The strain induced band gap modulation from narrow gap semiconductor to half-metal on Ti{sub 2}CrGe: A first principles study

    SciTech Connect

    Li, Jia; Zhang, Zhidong; Lu, Zunming; Xie, Hongxian; Fang, Wei; Li, Shaomin; Liang, Chunyong; Yin, Fuxing

    2015-11-15

    The Heusler alloy Ti{sub 2}CrGe is a stable L2{sub 1} phase with antiferromagnetic ordering. With band-gap energy (∼ 0.18 eV) obtained from a first-principles calculation, it belongs to the group of narrow band gap semiconductor. The band-gap energy decreases with increasing lattice compression and disappears until a strain of −5%; moreover, gap contraction only occurs in the spin-down states, leading to half-metallic character at the −5% strain. The Ti{sub 1}, Ti{sub 2}, and Cr moments all exhibit linear changes in behavior within strains of −5%– +5%. Nevertheless, the total zero moment is robust for these strains. The imaginary part of the dielectric function for both up and down spin states shows a clear onset energy, indicating a corresponding electronic gap for the two spin channels.

  5. Instantaneous band gap collapse in photoexcited monoclinic VO2 due to photocarrier doping.

    PubMed

    Wegkamp, Daniel; Herzog, Marc; Xian, Lede; Gatti, Matteo; Cudazzo, Pierluigi; McGahan, Christina L; Marvel, Robert E; Haglund, Richard F; Rubio, Angel; Wolf, Martin; Stähler, Julia

    2014-11-21

    Using femtosecond time-resolved photoelectron spectroscopy we demonstrate that photoexcitation transforms monoclinic VO2 quasi-instantaneously into a metal. Thereby, we exclude an 80 fs structural bottleneck for the photoinduced electronic phase transition of VO2. First-principles many-body perturbation theory calculations reveal a high sensitivity of the VO2 band gap to variations of the dynamically screened Coulomb interaction, supporting a fully electronically driven isostructural insulator-to-metal transition. We thus conclude that the ultrafast band structure renormalization is caused by photoexcitation of carriers from localized V 3d valence states, strongly changing the screening before significant hot-carrier relaxation or ionic motion has occurred.

  6. The electronic structures of vanadate salts: Cation substitution as a tool for band gap manipulation

    SciTech Connect

    Dolgos, Michelle R.; Paraskos, Alexandra M.; Stoltzfus, Matthew W.; Yarnell, Samantha C.; Woodward, Patrick M.

    2009-07-15

    The electronic structures of six ternary metal oxides containing isolated vanadate ions, Ba{sub 3}(VO{sub 4}){sub 2}, Pb{sub 3}(VO{sub 4}){sub 2}, YVO{sub 4}, BiVO{sub 4}, CeVO{sub 4} and Ag{sub 3}VO{sub 4} were studied using diffuse reflectance spectroscopy and electronic structure calculations. While the electronic structure near the Fermi level originates largely from the molecular orbitals of the vanadate ion, both experiment and theory show that the cation can strongly influence these electronic states. The observation that Ba{sub 3}(VO{sub 4}){sub 2} and YVO{sub 4} have similar band gaps, both 3.8 eV, shows that cations with a noble gas configuration have little impact on the electronic structure. Band structure calculations support this hypothesis. In Pb{sub 3}(VO{sub 4}){sub 2} and BiVO{sub 4} the band gap is reduced by 0.9-1.0 eV through interactions of (a) the filled cation 6s orbitals with nonbonding O 2p states at the top of the valence band, and (b) overlap of empty 6p orbitals with antibonding V 3d-O 2p states at the bottom of the conduction band. In Ag{sub 3}VO{sub 4} mixing between filled Ag 4d and O 2p states destabilizes states at the top of the valence band leading to a large decrease in the band gap (E{sub g}=2.2 eV). In CeVO{sub 4} excitations from partially filled 4f orbitals into the conduction band lower the effective band gap to 1.8 eV. In the Ce{sub 1-x}Bi{sub x}VO{sub 4} (0<=x<=0.5) and Ce{sub 1-x}Y{sub x}VO{sub 4} (x=0.1, 0.2) solid solutions the band gap narrows slightly when Bi{sup 3+} or Y{sup 3+} are introduced. The nonlinear response of the band gap to changes in composition is a result of the localized nature of the Ce 4f orbitals. - Graphical abstract: The electronic structures of six vanadate salts, Ba{sub 3}(VO{sub 4}){sub 2}, Pb{sub 3}(VO{sub 4}){sub 2}, YVO{sub 4}, BiVO{sub 4}, Ag{sub 3}VO{sub 4} and CeVO{sub 4}, are studied. The results show that the oxygen to vanadium charge transfer, which is largely responsible for the

  7. Absolute frequency list of the ν3-band transitions of methane at a relative uncertainty level of 10(-11).

    PubMed

    Okubo, Sho; Nakayama, Hirotaka; Iwakuni, Kana; Inaba, Hajime; Sasada, Hiroyuki

    2011-11-21

    We determine the absolute frequencies of 56 rotation-vibration transitions of the ν(3) band of CH(4) from 88.2 to 90.5 THz with a typical uncertainty of 2 kHz corresponding to a relative uncertainty of 2.2 × 10(-11) over an average time of a few hundred seconds. Saturated absorption lines are observed using a difference-frequency-generation source and a cavity-enhanced absorption cell, and the transition frequencies are measured with a fiber-laser-based optical frequency comb referenced to a rubidium atomic clock linked to the international atomic time. The determined value of the P(7) F(2)((2)) line is consistent with the International Committee for Weights and Measures recommendation within the uncertainty.

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

    DOEpatents

    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.

  9. Polarization field gradient effects in inhomogeneous metal-ferroelectric bilayers: Optical response and band gap tunability

    NASA Astrophysics Data System (ADS)

    Vivas C., H.; Vargas-Hernández, C.

    2012-06-01

    Optical constants, reflectivity response and direct band gap energy (Egd) were calculated and simulated by developing an electrodynamic-based model for a three medium system, namely vacuum/ferroelectric film/metallic substrate. Depolarization effects due to the contact between the metallic substrate and the FE film, as well as the spatially dependent profile of the dielectric susceptibility ε(z) enter into the formalism by adapting the phenomenological Landau-Ginzburg-Devonshire theory (LGD). Absorption coefficient is obtained from the Lambert-Beer-Bouguer (LBB) approximation and the direct band gap energy as a function of the characteristic length is calculated by using the general Tauc power law. Numerical simulations lead to range of values for tunable Egd from 2.6 to 2.8 eV for characteristic lengths up to 30% the thickness of the film, in concordance with recent reports.

  10. Solar-blind UV detectors based on wide band gap semiconductors

    NASA Astrophysics Data System (ADS)

    Schuhle, Udo; Hochedez, Jean-Francois

    Solid-state photon detectors based on semiconductors other than silicon are not yet considered mature technology but their current development opens new possibilities, also for space observations. Such devices are especially attractive for ultraviolet radiation detection, as semiconductor materials with band gaps larger than that of silicon can be produced and used as "visible-blind" or "solar-blind" detectors that are not affected by daylight. Here we evaluate the advantages of such detectors compared to silicon-based devices and report on the semiconductor detectors that have been fabricated in recent years with materials having large band-gap energies. We describe the most common pixel designs and characterize their general properties.

  11. Microwave irradiation induced band gap tuning of MoS2-TiO2 nanocomposites

    NASA Astrophysics Data System (ADS)

    Shakya, Jyoti; Mohanty, T.

    2016-05-01

    The MoS2-TiO2 nanocomposites have been synthesized by sol-gel method and characterized by different microscopic and spectroscopic techniques. The crystallinity of these nanocomposites has been confirmed by X-ray diffraction (XRD) analysis. The Raman spectrum of MoS2-TiO2 nanocomposites consists of three distinct peaks (E1 g, E1 2g and A1g) which are associated with TiO2 and MoS2. The morphological study is carried out by scanning electron microscope. The effect of microwave irradiation on the band gap of MoS2-TiO2 nanocomposites has been investigated; it is observed that the microwave irradiation causes decrease in the band gap of MoS2-TiO2 nanocomposites. The microwave treated MoS2-TiO2 thin films offers a novel process route in treating thin films for commercial applications.

  12. Spatially graded TiO₂-SiO₂ Bragg reflector with rainbow-colored photonic band gap.

    PubMed

    Singh, Dhruv Pratap; Lee, Seung Hee; Choi, Il Yong; Kim, Jong Kyu

    2015-06-29

    A simple single-step method to fabricate spatially graded TiO2-SiO2 Bragg stack with rainbow colored photonic band gap is presented. The gradation in thickness of the Bragg stack was accomplished with a modified glancing angle deposition (GLAD) technique with dynamic shadow enabled by a block attached to one edge of the rotating substrate. A linear gradation in thickness over a distance of about 17 mm resulted in a brilliant colorful rainbow pattern. Interestingly, the photonic band gap position can be changed across the whole visible wavelength range by linearly translating the graded Bragg stack over a large area substrate. The spatially graded Bragg stack may find potential applications in the tunable optical devices, such as optical filters, reflection gratings, and lasers.

  13. Measurements of Quasiparticle Tunneling Dynamics in a Band-Gap-Engineered Transmon Qubit

    NASA Astrophysics Data System (ADS)

    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.

    2012-06-01

    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-EJ/EC 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 10μs, indicating quasiparticle-induced relaxation has to be reduced to achieve T1 much longer than 100μs.

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

    PubMed

    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.

  15. Cherenkov oscillator operating at the second band gap of leakage waveguide structures

    NASA Astrophysics Data System (ADS)

    Jang, Kyu-Ha; Park, Seong Hee; Lee, Kitae; Jeong, Young Uk

    2016-10-01

    An electromagnetic wave source operating around second band gaps of metallic grating structures is presented. The considered metallic grating structures are not perfect periodic but inhomogeneously structured within a period to have a second band gap where the wavelength is equal to the period of the structures. The radiation mechanism by an electron beam in the structures is different from the well-known Smith-Purcell radiation occurring in perfect periodic grating structures. That is, the radiating wave has a single frequency and the radiation is unidirectional. When the energy of the electron beam is synchronized at the standing wave point in the dispersion curves, strong interaction happens and coherent radiation perpendicular to the grating surface is generated with relatively lower starting oscillation current.

  16. Band gap and chemically ordered domain structure of a graphene analogue BCN

    NASA Astrophysics Data System (ADS)

    Venu, K.; Kanuri, S.; Raidongia, K.; Hembram, K. P. S. S.; Waghmare, U. V.; Datta, R.

    2010-12-01

    Chemically synthesized few layer graphene analogues of B xC yN z are characterized by aberration corrected transmission electron microscopy and high resolution electron energy loss spectroscopy (HREELS) to determine the local phase, electronic structure and band gap. HREELS band gap studies of a B xC yN z composition reveal absorption edges at 2.08, 3.43 and 6.01 eV, indicating that the B xC yN z structure may consist of domains of different compositions. The K-absorption edge energy position of the individual elements in B xC yN z is determined and compared with h-BN and graphite. An understanding of these experimental findings is developed with complementary first-principles based calculations of the various ordered configurations of B xC yN z.

  17. Stacking nature and band gap opening of graphene: Perspective for optoelectronic applications

    NASA Astrophysics Data System (ADS)

    Ullah, Naeem; Zhang, R. Q.; Murtaza, G.; Yar, Abdullah; Mahmood, Asif

    2016-11-01

    Using first principles density functional theory calculations, we have performed geometrical and electronic structure calculations of two-dimensional graphene(G) sheet on the hexagonal boron nitride (h-BN) with different stacking orders. We found that AB stacking appears as the ground state while AA-stacking is a local minima. Band gap opening in the hybrid G/h-BN is sensitive to the interlayer distance and stacking arrangement. Charge redistribution in the graphene sheet determined the band gap opening where the onsite energy difference between carbon lattice atoms of G-sheet takes place. Similar behavior can be observed for the proposed h-BN/G/h-BN tri-layer system. Stacking resolved calculations of the absorptive part of complex dielectric function and optical conductivity revealed the importance of the proposed hybrid systems in the optoelectronics.

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

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Chakraborty, Ritun; Kudera, Stefan; Krahne, Roman

    2015-11-01

    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.

  19. Multiband frequency-reconfigurable antenna using metamaterial structure of electromagnetic band gap

    NASA Astrophysics Data System (ADS)

    Dewan, Raimi; Rahim, M. K. A.; Himdi, Mohamed; Hamid, M. R.; Majid, H. A.; Jalil, M. E.

    2017-01-01

    A metamaterial of electromagnetic band gap (EBG) is incorporated to an antenna for frequency reconfigurability is proposed. The EBG consists of two identical unit cells that provide multiple band gaps at 1.88-1.94, 2.25-2.44, 2.67-2.94, 3.52-3.54, and 5.04-5.70 GHz with different EBG configurations. Subsequently, the antenna is incorporated with EBG. The corresponding incorporated structure successfully achieves various reconfigurable frequencies at 1.60, 1.91, 2.41, 3.26, 2.87, 5.21, and 5.54 GHz. The antenna has the potential to be implemented for Bluetooth, Wi-Fi, WiMAX, LTE, and cognitive radio applications.

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

    The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D Bx/2Nx/2C1-x (0 < x < 1) compounds in particular focus on the four stoichiometric Bx/2Nx/2C1-x (x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer Bx/2Nx/2C1-x stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of Bx/2Nx/2C1-x phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p-n junction photovoltaic modules. The present results also show that the band gaps of Bx/2Nx/2C1-x can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices.The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D Bx/2Nx/2C1-x (0 < x < 1) compounds in particular focus on the four stoichiometric Bx/2Nx/2C1-x (x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

    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.

  3. Harnessing Geometric Frustration to Form Band Gaps in Acoustic Channel Lattices

    NASA Astrophysics Data System (ADS)

    Wang, Pai; Zheng, Yue; Fernandes, Matheus C.; Sun, Yushen; Xu, Kai; Sun, Sijie; Kang, Sung Hoon; Tournat, Vincent; Bertoldi, Katia

    2017-02-01

    We demonstrate both numerically and experimentally that geometric frustration in two-dimensional periodic acoustic networks consisting of arrays of narrow air channels can be harnessed to form band gaps (ranges of frequency in which the waves cannot propagate in any direction through the system). While resonant standing wave modes and interferences are ubiquitous in all the analyzed network geometries, we show that they give rise to band gaps only in the geometrically frustrated ones (i.e., those comprising of triangles and pentagons). Our results not only reveal a new mechanism based on geometric frustration to suppress the propagation of pressure waves in specific frequency ranges but also open avenues for the design of a new generation of smart systems that control and manipulate sound and vibrations.

  4. Periodic dielectric structure for production of photonic band gap and method for fabricating the same

    DOEpatents

    Ozbay, Ekmel; Tuttle, Gary; Michel, Erick; Ho, Kai-Ming; Biswas, Rana; Chan, Che-Ting; Soukoulis, Costas

    1995-01-01

    A method for fabricating a periodic dielectric structure which exhibits a photonic band gap. Alignment holes are formed in a wafer of dielectric material having a given crystal orientation. A planar layer of elongate rods is then formed in a section of the wafer. The formation of the rods includes the step of selectively removing the dielectric material of the wafer between the rods. The formation of alignment holes and layers of elongate rods and wafers is then repeated to form a plurality of patterned wafers. A stack of patterned wafers is then formed by rotating each successive wafer with respect to the next-previous wafer, and then placing the successive wafer on the stack. This stacking results in a stack of patterned wafers having a four-layer periodicity exhibiting a photonic band gap.

  5. Band gap widening and quantum tunnelling effects of Ag/MgO/p-Si MOS structure

    NASA Astrophysics Data System (ADS)

    Kamarulzaman, Norlida; Badar, Nurhanna; Fadilah Chayed, Nor; Firdaus Kasim, Muhd

    2016-10-01

    MgO films of various thicknesses were fabricated via the pulsed laser deposition method. The MgO thin films obtained have the advantage of high quality mirror finish, good densification and of uniform thickness. The MgO thin films have thicknesses of between 43 to 103 nm. They are polycrystalline in nature with oriented growth mainly in the direction of the [200] and [220] crystal planes. It is observed that the band gap of the thin films increases as the thickness decreases due to quantum effects, however, turn-on voltage has the opposite effect. The decrease of the turn-on as well as the tunnelling voltage of the thinner films, despite their larger band gap, is a direct experimental evidence of quantum tunnelling effects in the thin films. This proves that quantum tunnelling is more prominent in low dimensional structures.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  7. Negative capacitance switching via VO2 band gap engineering driven by electric field

    NASA Astrophysics Data System (ADS)

    He, Xinfeng; Xu, Jing; Xu, Xiaofeng; Gu, Congcong; Chen, Fei; Wu, Binhe; Wang, Chunrui; Xing, Huaizhong; Chen, Xiaoshuang; Chu, Junhao

    2015-03-01

    We report the negative capacitance behavior of an energy band gap modulation quantum well with a sandwich VO2 layer structure. The phase transition is probed by measuring its capacitance. With the help of theoretical calculations, it shows that the negative capacitance changes of the quantum well device come from VO2 band gap by continuously tuning the temperature or voltage. Experiments reveal that as the current remains small enough, joule heating can be ignored, and the insulator-metal transition of VO2 can be induced by the electric field. Our results open up possibilities for functional devices with phase transitions induced by external electric fields other than the heating or electricity-heat transition.

  8. Harnessing Geometric Frustration to Form Band Gaps in Acoustic Channel Lattices.

    PubMed

    Wang, Pai; Zheng, Yue; Fernandes, Matheus C; Sun, Yushen; Xu, Kai; Sun, Sijie; Kang, Sung Hoon; Tournat, Vincent; Bertoldi, Katia

    2017-02-24

    We demonstrate both numerically and experimentally that geometric frustration in two-dimensional periodic acoustic networks consisting of arrays of narrow air channels can be harnessed to form band gaps (ranges of frequency in which the waves cannot propagate in any direction through the system). While resonant standing wave modes and interferences are ubiquitous in all the analyzed network geometries, we show that they give rise to band gaps only in the geometrically frustrated ones (i.e., those comprising of triangles and pentagons). Our results not only reveal a new mechanism based on geometric frustration to suppress the propagation of pressure waves in specific frequency ranges but also open avenues for the design of a new generation of smart systems that control and manipulate sound and vibrations.

  9. Printable, wide band-gap chalcopyrite thin films for power generating window applications

    PubMed Central

    Moon, Sung Hwan; Park, Se Jin; Hwang, Yun Jeong; Lee, Doh-Kwon; Cho, Yunae; Kim, Dong-Wook; Min, Byoung Koun

    2014-01-01

    Printable, wide band-gap chalcopyrite compound films (CuInGaS2, CIGS) were synthesized on transparent conducting oxide substrates. The wide band-gap and defective nature of the films reveal semi-transparent and bifacial properties that are beneficial for power generating window applications. Importantly, solar cell devices with these films demonstrate a synergistic effect for bifacial illumination resulting in a 5.4–16.3% increase of the apparent power conversion efficiency compared to the simple sum of the efficiencies of the front and rear side illumination only. We also confirmed that this extra output power acquisition due to bifacial irradiation is apparently not influenced by the light intensity of the rear side illumination, which implies that weak light (e.g., indoor light) can be efficiently utilized to improve the overall solar cell efficiency of bifacial devices. PMID:24637380

  10. Vibrational effects on surface energies and band gaps in hexagonal and cubic ice

    NASA Astrophysics Data System (ADS)

    Engel, Edgar A.; Monserrat, Bartomeu; Needs, Richard J.

    2016-07-01

    Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from -1.2 eV for the cubic ice basal surface up to -1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.

  11. Negative capacitance switching via VO{sub 2} band gap engineering driven by electric field

    SciTech Connect

    He, Xinfeng; Xu, Jing; Xu, Xiaofeng Gu, Congcong; Chen, Fei; Wu, Binhe Wang, Chunrui Xing, Huaizhong; Chen, Xiaoshuang; Chu, Junhao

    2015-03-02

    We report the negative capacitance behavior of an energy band gap modulation quantum well with a sandwich VO{sub 2} layer structure. The phase transition is probed by measuring its capacitance. With the help of theoretical calculations, it shows that the negative capacitance changes of the quantum well device come from VO{sub 2} band gap by continuously tuning the temperature or voltage. Experiments reveal that as the current remains small enough, joule heating can be ignored, and the insulator-metal transition of VO{sub 2} can be induced by the electric field. Our results open up possibilities for functional devices with phase transitions induced by external electric fields other than the heating or electricity-heat transition.

  12. Periodic dielectric structure for production of photonic band gap and method for fabricating the same

    DOEpatents

    Ozbay, E.; Tuttle, G.; Michel, E.; Ho, K.M.; Biswas, R.; Chan, C.T.; Soukoulis, C.

    1995-04-11

    A method is disclosed for fabricating a periodic dielectric structure which exhibits a photonic band gap. Alignment holes are formed in a wafer of dielectric material having a given crystal orientation. A planar layer of elongate rods is then formed in a section of the wafer. The formation of the rods includes the step of selectively removing the dielectric material of the wafer between the rods. The formation of alignment holes and layers of elongate rods and wafers is then repeated to form a plurality of patterned wafers. A stack of patterned wafers is then formed by rotating each successive wafer with respect to the next-previous wafer, and then placing the successive wafer on the stack. This stacking results in a stack of patterned wafers having a four-layer periodicity exhibiting a photonic band gap. 42 figures.

  13. Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

    NASA Technical Reports Server (NTRS)

    Elkadi, Asmaa; Decrossas, Emmanuel; El-Ghazaly, Samir

    2013-01-01

    The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of the electron density for an individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closest neighbours reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

  14. Energy Band Gap Study of Semiconducting Single Walled Carbon Nanotube Bundle

    NASA Technical Reports Server (NTRS)

    Elkadi, Asmaa; Decrossas, Emmanuel; El-Ghazaly, Samir

    2013-01-01

    The electronic properties of multiple semiconducting single walled carbon nanotubes (s-SWCNTs) considering various distribution inside a bundle are studied. The model derived from the proposed analytical potential function of electron density for na individual s-SWCNT is general and can be easily applied to multiple nanotubes. This work demonstrates that regardless the number of carbon nanotubes, the strong coupling occurring between the closet neighbors reduces the energy band gap of the bundle by 10%. As expected, the coupling is strongly dependent on the distance separating the s-SWCNTs. In addition, based on the developed model, it is proposed to enhance this coupling effect by applying an electric field across the bundle to significantly reduce the energy band gap of the bundle by 20%.

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

    NASA Astrophysics Data System (ADS)

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

    2014-08-01

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

  16. Coupled-mode theory for photonic band-gap inhibition of spatial instabilities.

    PubMed

    Gomila, Damià; Oppo, Gian-Luca

    2005-07-01

    We study the inhibition of pattern formation in nonlinear optical systems using intracavity photonic crystals. We consider mean-field models for singly and doubly degenerate optical parametric oscillators. Analytical expressions for the new (higher) modulational thresholds and the size of the "band gap" as a function of the system and photonic crystal parameters are obtained via a coupled-mode theory. Then, by means of a nonlinear analysis, we derive amplitude equations for the unstable modes and find the stationary solutions above threshold. The form of the unstable mode is different in the lower and upper parts of the band gap. In each part there is bistability between two spatially shifted patterns. In large systems stable wall defects between the two solutions are formed and we provide analytical expressions for their shape. The analytical results are favorably compared with results obtained from the full system equations. Inhibition of pattern formation can be used to spatially control signal generation in the transverse plane.

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

    SciTech Connect

    Kang, Henry Hao-Chuan

    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.

  18. Band gap tuning of armchair silicene nanoribbons using periodic hexagonal holes

    SciTech Connect

    Mehdi Aghaei, Sadegh; Calizo, Irene

    2015-09-14

    The popularity of graphene owing to its unique and exotic properties has triggered a great deal of interest in other two-dimensional nanomaterials. Among them silicene shows considerable promise for electronic devices with a carrier mobility comparable to graphene, flexible buckled structure, and expected compatibility with silicon electronics. Using first-principle calculations based on density functional theory, the electronic properties of armchair silicene nanoribbons perforated with periodic nanoholes (ASiNRPNHs) are investigated. Two different configurations of mono-hydrogenated (:H) and di-hydrogenated (:2H) silicene edges are considered. Pristine armchair silicene nanoribbons (ASiNRs) can be categorized into three branches with width W = 3P − 1, 3P, and 3P + 1, P is an integer. The order of their energy gaps change from “E{sub G} (3P − 1) < E{sub G} (3P) < E{sub G} (3P + 1)” for W-ASiNRs:H to “E{sub G} (3P + 1) < E{sub G} (3P − 1) < E{sub G} (3P)” for W-ASiNRs:2H. We found the band gaps of W-ASiNRs:H and (W + 2)-ASiNRs:2H are slightly different, giving larger band gaps for wider ASiNRs:2H. ASiNRPNHs' band gaps changed based on the nanoribbon's width, nanohole's repeat periodicity and position relative to the nanoribbon's edge compared to pristine ASiNRs because of changes in quantum confinement strength. ASiNRPNHs:2H are more stable than ASiNRPNHs:H and their band gaps are noticeably greater than ASiNRPNHs:H. We found that the value of energy band gap for 12-ASiNRPNHs:2H with repeat periodicity of 2 is 0.923 eV. This value is about 2.2 times greater than pristine ASiNR:2H and double that of the 12-ASiNRPNHs:H with repeat periodicity of 2.

  19. Coherent Optical Control of Electronic Excitations in Wide-Band-Gap Semiconductor Structures

    DTIC Science & Technology

    2015-05-01

    ABSTRACT The main objective of this research is to study coherent quantum effects, such as Rabi oscillations in optical spectra of wide- band-gap...materials, and to determine the feasibility of fast optical control of quantum states in gallium nitride and zinc oxide heterostructures. Because of...necessary work toward coherent optical control of quantum states at higher temperatures, with ultimately room-temperature coherent control. We also

  20. Pre-Stressed Viscoelastic Composites: Effective Incremental Moduli and Band-Gap Tuning

    SciTech Connect

    Parnell, William J.

    2010-09-30

    We study viscoelastic wave propagation along pre-stressed nonlinear elastic composite bars. In the pre-stressed state we derive explicit forms for the effective incremental storage and loss moduli with dependence on the pre-stress. We also derive a dispersion relation for the effective wavenumber in the case of arbitrary frequency, hence permitting a study of viscoelastic band-gap tuning via pre-stress.

  1. Is it effective to harvest visible light by decreasing the band gap of photocatalytic materials?

    NASA Astrophysics Data System (ADS)

    Fu, Ning; Tang, Xinhu; Li, Dongyang

    2012-02-01

    In situ variations in the electron work function and photo-current of TiO2 nanotubes demonstrate that long-wavelength illumination only has a minor effect on the excitation of electrons in the nanotubes after being exposed to short-wavelength light or when the short-wavelength light coexisted, indicating that the solar spectrum may not be utilized as efficiently as expected by extending the absorption spectrum of the photocatalytic material to visible light range with decreased band gaps.

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

    PubMed

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

    2015-07-28

    The search for new candidate semiconductors with direct band gaps of ∼1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D B(x)/2N(x/2)C(1-x) (0 < x < 1) compounds in particular focus on the four stoichiometric B(x)/2N(x/2)C(1-x) (x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer B(x)/2N(x/2)C(1-x) stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of B(x)/2N(x/2)C(1-x) phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p-n junction photovoltaic modules. The present results also show that the band gaps of B(x)/2N(x/2)C(1-x) can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices.

  3. Graphene nanoribbons as low band gap donor materials for organic photovoltaics: quantum chemical aided design.

    PubMed

    Osella, Silvio; Narita, Akimitsu; Schwab, Matthias Georg; Hernandez, Yenny; Feng, Xinliang; Müllen, Klaus; Beljonne, David

    2012-06-26

    Graphene nanoribbons (GNRs) are strips of graphene cut along a specific direction that feature peculiar electronic and optical properties owing to lateral confinement effects. We show here by means of (time-dependent) density functional theory calculations that GNRs with properly designed edge structures fulfill the requirements in terms of electronic level alignment with common acceptors (namely, C(60)), solar light harvesting, and singlet-triplet exchange energy to be used as low band gap semiconductors for organic photovoltaics.

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

    SciTech Connect

    Kaloni, T. P.; Schwingenschlögl, U.; Joshi, R. P.; Adhikari, N. P.

    2014-02-17

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

  5. Engineering of the band gap and optical properties of thin films of yttrium hydride

    SciTech Connect

    You, Chang Chuan; Mongstad, Trygve; Maehlen, Jan Petter; Karazhanov, Smagul

    2014-07-21

    Thin films of oxygen-containing yttrium hydride show photochromic effect at room temperature. In this work, we have studied structural and optical properties of the films deposited at different deposition pressures, discovering the possibility of engineering the optical band gap by variation of the oxygen content. In sum, the transparency of the films and the wavelength range of photons triggering the photochromic effect can be controlled by variation of the deposition pressure.

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    Reflection electron energy loss spectra from some insulating materials (CaCO3, Li2CO3, and SiO2) 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 SiO2, 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 - Egap)1.5. For CaCO3, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li2CO3 (7.5 eV) is the first experimental estimate.

  7. The Effect of Carbon Nanotube on Band Gap Energy of TiO2 Nanoparticles

    NASA Astrophysics Data System (ADS)

    Taleshi, F.

    2015-05-01

    A composite of TiO2-carbon nanotubes (CNTs) was synthesized via a sol-gel method. The structure and morphology of the nanocomposite samples were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The optical properties of the samples were studied using UV-Vis spectroscopy. The results show that CNTs can decrease the value of band gap energy of TiO2 nanoparticles considerably.

  8. Analogy of transistor function with modulating photonic band gap in electromagnetically induced grating

    PubMed Central

    Wang, Zhiguo; Ullah, Zakir; Gao, Mengqin; Zhang, Dan; Zhang, Yiqi; Gao, Hong; Zhang, Yanpeng

    2015-01-01

    Optical transistor is a device used to amplify and switch optical signals. Many researchers focus on replacing current computer components with optical equivalents, resulting in an optical digital computer system processing binary data. Electronic transistor is the fundamental building block of modern electronic devices. To replace electronic components with optical ones, an equivalent optical transistor is required. Here we compare the behavior of an optical transistor with the reflection from a photonic band gap structure in an electromagnetically induced transparency medium. A control signal is used to modulate the photonic band gap structure. Power variation of the control signal is used to provide an analogy between the reflection behavior caused by modulating the photonic band gap structure and the shifting of Q-point (Operation point) as well as amplification function of optical transistor. By means of the control signal, the switching function of optical transistor has also been realized. Such experimental schemes could have potential applications in making optical diode and optical transistor used in quantum information processing. PMID:26349444

  9. Photonic band gaps in one-dimensional magnetized plasma photonic crystals with arbitrary magnetic declination

    SciTech Connect

    Zhang Haifeng; Liu Shaobin; Kong Xiangkun

    2012-12-15

    In this paper, the properties of photonic band gaps and dispersion relations of one-dimensional magnetized plasma photonic crystals composed of dielectric and magnetized plasma layers with arbitrary magnetic declination are theoretically investigated for TM polarized wave based on transfer matrix method. As TM wave propagates in one-dimensional magnetized plasma photonic crystals, the electromagnetic wave can be divided into two modes due to the influence of Lorentz force. The equations for effective dielectric functions of such two modes are theoretically deduced, and the transfer matrix equation and dispersion relations for TM wave are calculated. The influences of relative dielectric constant, plasma collision frequency, incidence angle, plasma filling factor, the angle between external magnetic field and +z axis, external magnetic field and plasma frequency on transmission, and dispersion relation are investigated, respectively, and some corresponding physical explanations are also given. From the numerical results, it has been shown that plasma collision frequency cannot change the locations of photonic band gaps for both modes, and also does not affect the reflection and transmission magnitudes. The characteristics of photonic band gaps for both modes can be obviously tuned by relative dielectric constant, incidence angle, plasma filling factor, the angle between external magnetic field and +z axis, external magnetic field and plasma frequency, respectively. These results would provide theoretical instructions for designing filters, microcavities, and fibers, etc.

  10. Analogy of transistor function with modulating photonic band gap in electromagnetically induced grating.

    PubMed

    Wang, Zhiguo; Ullah, Zakir; Gao, Mengqin; Zhang, Dan; Zhang, Yiqi; Gao, Hong; Zhang, Yanpeng

    2015-09-09

    Optical transistor is a device used to amplify and switch optical signals. Many researchers focus on replacing current computer components with optical equivalents, resulting in an optical digital computer system processing binary data. Electronic transistor is the fundamental building block of modern electronic devices. To replace electronic components with optical ones, an equivalent optical transistor is required. Here we compare the behavior of an optical transistor with the reflection from a photonic band gap structure in an electromagnetically induced transparency medium. A control signal is used to modulate the photonic band gap structure. Power variation of the control signal is used to provide an analogy between the reflection behavior caused by modulating the photonic band gap structure and the shifting of Q-point (Operation point) as well as amplification function of optical transistor. By means of the control signal, the switching function of optical transistor has also been realized. Such experimental schemes could have potential applications in making optical diode and optical transistor used in quantum information processing.

  11. Modulation of the Band Gaps of Phononic Crystals with Thermal Effects

    NASA Astrophysics Data System (ADS)

    Aly, Arafa H.; Mehaney, Ahmed

    2015-11-01

    Band gaps of elastic waves, both in-plane and shear waves, propagating through one-dimensional perfect/defect phononic crystals (PnCs) that involve thermal effects are studied in this paper. Based on the transfer matrix method and Bloch theory, the expressions of the reflection coefficients and dispersion relation are presented. Elastic waves localization is obtained by immersing a defect layer through a perfect structure. Compared with the periodic structure, we observed that defected PnCs introduced localized modes or peaks within the phononic band gaps. Hence, Numerical simulations are performed to investigate the influences of the defect layer thickness and type on the number and intensity of the localized modes. Moreover, we have observed that temperature changes have prominent effects on the localized modes and band gaps width, especially at plane wave propagation. Such effects could change thermal properties of the PnCs structure such as thermal conductivity and could control the thermal emission contributed by phonons in many engineering structures.

  12. Prediction of direct band gap silicon superlattices with dipole-allowed optical transition

    NASA Astrophysics Data System (ADS)

    Kim, Sunghyun; Oh, Young Jun; Lee, In-Ho; Lee, Jooyoung; Chang, K. J.

    While cubic diamond silicon (c-Si) is an important element in electronic devices, it has poor optical properties owing to its indirect gap nature, thereby limiting its applications to optoelectronic devices. Here, we report Si superlattice structures which are computationally designed to possess direct band gaps and excellent optical properties. The computational approach adopts density functional calculations and conformational space annealing for global optimization. The Si superlattices, which consist of alternating stacks of Si(111) layers and a defective layer with Seiwatz chains, have either direct or quasi-direct band gaps depending on the details of attacking layers. The photovoltaic efficiencies are calculated by solving Bethe-Salpeter equation together with quasiparticle G0W0 calculations. The strong direct optical transition is attributed to the overlap of the valence and conduction band edge states in the interface region. Our Si superlattices exhibit high thermal stability, with the energies lower by an order of magnitude than those of the previously reported Si allotropes. We discuss a possible route to the synthesis of the superlattices through wafer bonding. This work is supported by Samsung Science and Technology Foundation under Grant No. SSTF-BA1401-08.

  13. Direct-Coated Photoconducting Nanocrystalline PbS Thin Films with Tunable Band Gap

    NASA Astrophysics Data System (ADS)

    Vankhade, Dhaval; Kothari, Anjana; Chaudhuri, Tapas K.

    2016-06-01

    Nanocrystalline PbS thin films are deposited on glass by direct coating from a precursor solution of lead acetate and thiourea in methanol. A single coating has a thickness of 50 nm and greater thicknesses are obtained from layer by layer deposition. The films are smooth and shiny with roughness (rms) of about 1.5 nm. X-ray diffraction studies show that films are cubic PbS with crystallite size about 10 nm. The films are p-type with dark electrical conductivities in the range of 0.4-0.5 S/cm. These films are basically photoconducting. Photoconductivity monotonically increases with increase in thickness. The band gap of the films strongly depends on the thickness of the films. The band gap decreases from 2.4 eV to 1.6 eV as the thickness is increased from 50 nm to 450 nm. The tunability of the band gap is useful for technical applications, such as solar cells and photodetectors.

  14. Wave propagation in relaxed micromorphic continua: modeling metamaterials with frequency band-gaps

    NASA Astrophysics Data System (ADS)

    Madeo, A.; Neff, P.; Ghiba, I. D.; Placidi, L.; Rosi, G.

    2015-09-01

    In this paper, the relaxed micromorphic model proposed in Ghiba et al. (Math Mech Solids, 2013), Neff et al. (Contin Mech Thermodyn, 2013) has been used to study wave propagation in unbounded continua with microstructure. By studying dispersion relations for the considered relaxed medium, we are able to disclose precise frequency ranges (band-gaps) for which propagation of waves cannot occur. These dispersion relations are strongly nonlinear so giving rise to a macroscopic dispersive behavior of the considered medium. We prove that the presence of band-gaps is related to a unique elastic coefficient, the so-called Cosserat couple modulus μ c , which is also responsible for the loss of symmetry of the Cauchy force stress tensor. This parameter can be seen as the trigger of a bifurcation phenomenon since the fact of slightly changing its value around a given threshold drastically changes the observed response of the material with respect to wave propagation. We finally show that band-gaps cannot be accounted for by classical micromorphic models as well as by Cosserat and second gradient ones. The potential fields of application of the proposed relaxed model are manifold, above all for what concerns the conception of new engineering materials to be used for vibration control and stealth technology.

  15. Tuning the electronic band-gap of fluorinated 3C-silicon carbide nanowires

    NASA Astrophysics Data System (ADS)

    Miranda Durán, Álvaro; Trejo Baños, Alejandro; Pérez, Luis Antonio; Cruz Irisson, Miguel

    The possibility of control and modulation of the electronic properties of silicon carbide nanowires (SiCNWs) by varying the wire diameter is well known. SiCNWs are particularly interesting and technologically important, due to its electrical and mechanical properties, allowing the development of materials with specific electronic features for the design of stable and robust electronic devices. Tuning the band gap by chemical surface passivation constitutes a way for the modification of the electronic band gap of these nanowires. We present, the structural and electronic properties of fluorinated SiCNWs, grown along the [111] crystallographic direction, which are investigated by first principles. We consider nanowires with six diameters, varying from 0.35 nm to 2.13 nm, and eight random covering schemes including fully hydrogen- and fluorine terminated ones. Gibbs free energy of formation and electronic properties were calculated for the different surface functionalization schemes and diameters considered. The results indicate that the stability and band gap of SiCNWs can be tuned by surface passivation with fluorine atoms This work was supported by CONACYT infrastructure project 252749 and UNAM-DGAPA-PAPIIT IN106714. A.M. would like to thank for financial support from CONACyT-Retención. Computing resources from proyect SC15-1-IR-27 of DGTIC-UNAM are acknowledged.

  16. Band gap energy and optical transitions in polyenes formed by thermal decomposition of polyvinyl alcohol

    NASA Astrophysics Data System (ADS)

    Kulak, A. I.; Bondarava, G. V.; Shchurevich, O. A.

    2013-07-01

    The band gap of the ensemble of oligoene clusters formed by thermocatalytic decomposition of polyvinyl alcohol is parametrized using optical absorption spectra. A band gap energy of E gm =1.53 ± 0.02 eV at the end of an infinite polyene chain is found by extrapolating the energies of π → π* transitions in clusters with a number of double bonds varying from 4 to 12. This value is close to the band gap of trans-polyacetylene and the lower bound for the Tauc energy E gT =1.50 eV, which characterizes the minimum interband transition energy. E gT is essentially independent of the concentration of oligoene clusters, which is determined by the concentration of the AlCl3 thermal decomposition catalyst. The Urbach energy determined from the long wavelength edge of the spectrum falls from 2.21 to 0.66 eV as the AlCl3 concentration is raised from 11.1 to 41.7 mmol per mol of polyvinyl alcohol structural units.

  17. Photonic-band-gap properties for two-component slow light

    SciTech Connect

    Ruseckas, J.; Kudriasov, V.; Juzeliunas, G.; Unanyan, R. G.; Otterbach, J.; Fleischhauer, M.

    2011-06-15

    We consider two-component ''spinor'' slow light in an ensemble of atoms coherently driven by two pairs of counterpropagating control laser fields in a double tripod-type linkage scheme. We derive an equation of motion for the spinor slow light (SSL) representing an effective Dirac equation for a massive particle with the mass determined by the two-photon detuning. By changing the detuning the atomic medium acts as a photonic crystal with a controllable band gap. If the frequency of the incident probe light lies within the band gap, the light experiences reflection from the sample and can tunnel through it. For frequencies outside the band gap, the transmission and reflection probabilities oscillate with the increasing length of the sample. In both cases the reflection takes place into the complementary mode of the probe field. We investigate the influence of the finite excited state lifetime on the transmission and reflection coefficients of the probe light. We discuss possible experimental implementations of the SSL using alkali-metal atoms such as rubidium or sodium.

  18. Band gap engineered nano perforated graphene microstructures for field effect transistor

    NASA Astrophysics Data System (ADS)

    Palla, Penchalaiah; Tiwari, Durgesh Laxman; Ansari, Hasan Raza; Babu, Taraprasanna Saha; Ethiraj, Anita Sagadevan; Raina, J. P.

    2016-05-01

    To make use of exceptional properties of graphene in Field effect Transistor (FETs) for switching devices a band gap must be introduced in order to switch -off the device. Through periodic nano perforations a semi-metallic graphene is converted into semiconducting graphene. To understand the device physics behind the reported experiments theoretical simulations has been carried out. The present paper illustrates nano perforated semiconducting graphene Field effect Transistor (FETs) with micron scale dimensions. The simulation has been performed using drift-diffusion semi-classical and tight-binding based non-equilibrium green's function (NEGF) methods. The obtained simulation results are compared with previously reported experimental work. The device dimensions considered for simulations and the experiment are similar with neck width, hole periodicity and channel length of 6.3 nm, 16.3 nm and 1 µm respectively. The interesting and new finding in this work is the p-type I-V characteristics for small band gap devices and n-type behavior for large band gap devices.

  19. Crystal structure, conformation, vibration and optical band gap analysis of bis[ rac-propranolol nitrate

    NASA Astrophysics Data System (ADS)

    Franklin, S.; Balasubramanian, T.; Nehru, K.; Kim, Youngmee

    2009-06-01

    The crystal structure of the title rac-propranolol salt, CHNO2+·NO3-, consists of two protonated propranolol residues and nitrate anions. Three virtually flat fragments, characteristics of most of the β-adrenolytics with oxy-methylene bridge are present in both the cations (A and B). The plane of the propranolol chain is twisted with respect to the plane of the aromatic ring in both the cations. Present study investigates the conformation and hydrogen bonding interactions, which play an important role in biological functions. A gauche conformation is observed for the oxo-methylene bridge of cation A, while a trans conformation prevails in cation B. These conformations are found in majority of β-blockers. Presence of twenty intermolecular hydrogen bonds mediating through the anions stabilizes the crystal packing. Vibration analysis and earlier theoretical predictions complement the structure analysed. From the UV-Vis spectral analysis for the crystal, the optical band gap is found to be Eg = 5.12 eV, where as the chloride salt has Eg = 3.81 eV. The increase in the band gap may be attributed by the increase in the number of intermolecular hydrogen bonds. Good optical transmittance in the entire visible region and the direct band gap property suggest that it is a suitable candidate for optical applications in UV region.

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

    NASA Astrophysics Data System (ADS)

    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.

  1. Complete band gaps including non-local effects occur only in the relaxed micromorphic model

    NASA Astrophysics Data System (ADS)

    Madeo, Angela; Neff, Patrizio; d'Agostino, Marco Valerio; Barbagallo, Gabriele

    2016-11-01

    In this paper, we substantiate the claim implicitly made in previous works that the relaxed micromorphic model is the only linear, isotropic, reversibly elastic, nonlocal generalized continuum model able to describe complete band-gaps on a phenomenological level. To this end, we recapitulate the response of the standard Mindlin-Eringen micromorphic model with the full micro-distortion gradient ∇P, the relaxed micromorphic model depending only on the Curl P of the micro-distortion P, and a variant of the standard micromorphic model, in which the curvature depends only on the divergence Div P of the micro distortion. The Div-model has size-effects, but the dispersion analysis for plane waves shows the incapability of that model to even produce a partial band gap. Combining the curvature to depend quadratically on Div P and Curl P shows that such a model is similar to the standard Mindlin-Eringen model, which can eventually show only a partial band gap.

  2. Experimental and theoretical investigation of relative optical band gaps in graphene generations

    NASA Astrophysics Data System (ADS)

    Bhatnagar, Deepika; Singh, Sukhbir; Yadav, Sriniwas; Kumar, Ashok; Kaur, Inderpreet

    2017-01-01

    Size and chemical functionalization dependant optical band gaps in graphene family nanomaterials were investigated by experimental and theoretical study using Tauc plot and density functional theory (DFT). We have synthesized graphene oxide through a modified Hummer’s method using graphene nanoplatelets and sequentially graphene quantum dots through hydrothermal reduction. The experimental results indicate that the optical band gap in graphene generations was altered by reducing the size of graphene sheets and attachment of chemical functionalities like epoxy, hydroxyl and carboxyl groups plays a crucial role in varying optical band gaps. It is further confirmed by DFT calculations that the π orbitals were more dominatingly participating in transitions shown by projected density of states and the molecular energy spectrum represented the effect of attached functional groups along with discreteness in energy levels. Theoretical results were found to be in good agreement with experimental results. All of the above different variants of graphene can be used in native or modified form for sensor design and optoelectronic applications.

  3. Determination of band gap energy (Eg) of Cu2ZnSnSe4 thin films: On the discrepancies of reported band gap values

    NASA Astrophysics Data System (ADS)

    Ahn, SeJin; Jung, Sunghun; Gwak, Jihye; Cho, Ara; Shin, Keeshik; Yoon, Kyunghoon; Park, Doyoung; Cheong, Hyeonsik; Yun, Jae Ho

    2010-07-01

    We demonstrate experimental data to elucidate the reason for the discrepancies of reported band gap energy (Eg) of Cu2ZnSnSe4 (CZTSe) thin films, i.e., 1.0 or 1.5 eV. Eg of the coevaporated CZTSe film synthesized at substrate temperature (Tsub) of 370 °C, which was apparently phase pure CZTSe confirmed by x-ray diffraction (XRD) and Raman spectroscopy, is found to be around 1 eV regardless of the measurement techniques. However, depth profile of the same sample reveals the formation of ZnSe at CZTSe/Mo interface. On the other hand, Eg of the coevaporated films increases with Tsub due to the ZnSe formation, from which we suggest that the existence of ZnSe, which is hardly distinguishable from CZTSe by XRD, is the possible reason for the overestimation of overall Eg.

  4. Frequency-selective plasmonic wave propagation through the overmoded waveguide with photonic-band-gap slab arrays

    SciTech Connect

    Shin, Young-Min

    2012-05-15

    Confined propagation of guided waves through the periodically corrugated channel sandwiched between two staggered dielectric photonic-band-gap slab arrays is investigated with the band-response analysis. Numerical simulations show that longitudinally polarized evanescent waves within the band gap propagate with insertion loss of {approx}-0.2 to 1 dB (-0.05 to 0.4 dB/mm at G-band) in the hybrid band filter. This structure significantly suppresses low energy modes and higher-order-modes beyond the band-gap, including background noises, down to {approx}-45 dB. This would enable the single-mode propagation in the heavily over-moded waveguide (TEM-type), minimizing abnormal excitation probability of trapped modes. This band filter could be integrated with active and passive RF components for electron beam and optoelectronic devices.

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

    NASA Astrophysics Data System (ADS)

    Blackman, Bridgette Renee

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

  6. Large configuration-induced band-gap fluctuations in GaNxAs1-x alloys

    NASA Astrophysics Data System (ADS)

    Tit, Nacir

    2006-06-01

    The electronic band structures of GaNxAs1-x alloys were investigated versus the nitrogen mole fraction x and the nitrogen atomic configuration. The computational method is based on the sp3s* tight-binding technique. Two main nitrogen atomic distributions were considered: (i) the nitrogen atoms grouped in one region to form like a GaN dot inside the GaAs so as to have a maximally N-clustered (MNC) configuration; and (ii) the nitrogen atoms homogeneously distributed over the alloy and, of course, the minimal N-clustered distribution as the maximally As-clustered (MAsC) configuration. The former is found to always have the lowest band gaps. More interestingly, the results show that in the latter distribution the nitrogen atoms introduce resonant states above the conduction-band edge by about 230 meV, which is consistent with the literature, whereas they introduce a deep gap state above the valence-band edge at about 150 meV in the former distribution. As a suitable model for experimental samples, the MAsC configuration, was used to model some available photoluminescence data in the dilute regime.

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

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Ken; Kuwabara, Takuhito; Uda, Tsuyoshi

    2013-03-01

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

  8. Absolute Absorption Intensities in the Fundamental nu2 and nu5 Bands of 12CH3F.

    PubMed

    Lepère; Blanquet; Walrand; Tarrago

    1998-06-01

    The absolute strengths of 93 lines belonging to the nu2 and nu5 bands of methyl fluoride were measured in the range of 1416-1503 cm-1 using a tunable diode-laser (TDL) spectrometer. These experimental line intensities were obtained from the equivalent width method. The intensities were analyzed within a dyad system, required to account properly for the strong Coriolis coupling between nu2 and nu5. The fit to the experimental data led to the determination of the dipole moment derivatives partial differentialµ/ partial differentialq2 and partial differentialµ/ partial differentialq5, as well as the first-order Herman-Wallis correction in K to partial differentialµ/ partial differentialq5. The intensities were reproduced with an overall standard deviation of 1.44%, to be compared with a mean experimental uncertainty equal to 1.58%. The values derived for the vibrational band strengths of nu2 and nu5 are 2.124 (18) cm-2.atm-1 and 36.96 cm-2.atm-1 at 296 K, respectively. Copyright 1998 Academic Press.

  9. Fractional Chern insulators with strong interactions that far exceed band gaps.

    PubMed

    Kourtis, Stefanos; Neupert, Titus; Chamon, Claudio; Mudry, Christopher

    2014-03-28

    We study two models for spinless fermions featuring topologically nontrivial bands characterized by Chern numbers C=±1 at fractional filling. Using exact diagonalization, we show that, even for infinitely strong nearest-neighbor repulsion, the ground states of these models belong to the recently discovered class of quantum liquids called fractional Chern insulators (FCI). Thus, we establish that FCI states can arise even if interaction strengths are arbitrarily larger than the noninteracting band gap, going beyond the limits in which FCI states have been previously studied. The strong-coupling FCI states, therefore, depart from the usual isolated-band picture that parallels the fractional quantum Hall effect in Landau levels and demonstrate how a topologically ordered state can arise in a truly multiband system.

  10. Band-gaps in long Josephson junctions with periodic phase-shifts

    NASA Astrophysics Data System (ADS)

    Ahmad, Saeed; Susanto, Hadi; Wattis, Jonathan A. D.

    2017-04-01

    We investigate analytically and numerically a long Josephson junction on an infinite domain, having arbitrary periodic phase shift of κ, that is, the so-called 0-κ long Josephson junction. The system is described by a one-dimensional sine-Gordon equation and has relatively recently been proposed as artificial atom lattices. We discuss the existence of periodic solutions of the system and investigate their stability both in the absence and presence of an applied bias current. We find critical values of the phase-discontinuity and the applied bias current beyond which static periodic solutions cease to exist. Due to the periodic discontinuity in the phase, the system admits regions of allowed and forbidden bands. We perturbatively investigate the Arnold tongues that separate the region of allowed and forbidden bands, and discuss the effect of an applied bias current on the band-gap structure. We present numerical simulations to support our analytical results.

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

    NASA Astrophysics Data System (ADS)

    Pennington, Ashley Marie

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

  12. Midinfrared sensors meet nanotechnology: Trace gas sensing with quantum cascade lasers inside photonic band-gap hollow waveguides

    NASA Astrophysics Data System (ADS)

    Charlton, Christy; Temelkuran, Burak; Dellemann, Gregor; Mizaikoff, Boris

    2005-05-01

    An integrated midinfrared sensing system for trace level (ppb) gas analysis combining a quantum cascade laser with an emission frequency of 10.3μm with a frequency matched photonic band-gap hollow core waveguide has been developed, demonstrating the sensing application of photonic band-gap fibers. The photonic band-gap fiber simultaneously acts as a wavelength selective waveguide and miniaturized gas cell. The laser emission wavelength corresponds to the vibrational C-H stretch band of ethyl chloride gas. This sensing system enabled the detection of ethyl chloride at concentration levels of 30ppb (v/v) with a response time of 8s probing a sample volume of only 1.5mL in a transmission absorption measurement within the photonic band-gap hollow core waveguide, which corresponds to a sensitivity improvement by three orders of magnitude compared to previously reported results obtained with conventional hollow waveguides.

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

    PubMed

    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.

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

    SciTech Connect

    Lidorikis, Elefterios

    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.

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

    SciTech Connect

    Gamboa, E. J.; Fletcher, L. B.; Lee, H. J.; MacDonald, M. J.; Zastrau, U.; Gauthier, M.; Gericke, D. O.; Vorberger, J.; Granados, E.; Hastings, J. B.; Glenzer, S. H.

    2016-01-25

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

  16. Effect of silver incorporation in phase formation and band gap tuning of tungsten oxide thin films

    SciTech Connect

    Jolly Bose, R.; Kumar, R. Vinod; Sudheer, S. K.; Mahadevan Pillai, V. P.; Reddy, V. R.; Ganesan, V.

    2012-12-01

    Silver incorporated tungsten oxide thin films are prepared by RF magnetron sputtering technique. The effect of silver incorporation in micro structure evolution, phase enhancement, band gap tuning and other optical properties are investigated using techniques such as x-ray diffraction, micro-Raman spectroscopy, atomic force microscopy, scanning electron microscopy, energy dispersive x-ray spectroscopy, and UV-Visible spectroscopy. Effect of silver addition in phase formation and band gap tuning of tungsten oxide thin films are investigated. It is found that the texturing and phase formation improves with enhancement in silver content. It is also found that as the silver incorporation enhances the thickness of the films increases at the same time the strain in the film decreases. Even without annealing the desired phase can be achieved by doping with silver. A broad band centered at the wavelength 437 nm is observed in the absorption spectra of tungsten oxide films of higher silver incorporation and this can be attributed to surface plasmon resonance of silver atoms present in the tungsten oxide matrix. The transmittance of the films is decreased with increase in silver content which can be due to increase in film thickness, enhancement of scattering, and absorption of light caused by the increase of grain size, surface roughness and porosity of films and enhanced absorption due to surface plasmon resonance of silver. It is found that silver can act as the seed for the growth of tungsten oxide grains and found that the grain size increases with silver content which in turn decreases the band gap of tungsten oxide from 3.14 eV to 2.70 eV.

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  18. Band gap narrowing of titanium dioxide (TiO2) nanocrystals by electrochemically active biofilms and their visible light activity

    NASA Astrophysics Data System (ADS)

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

    2013-06-01

    We report a simple biogenic-route to narrow the band gap of TiO2 nanocrystals for visible light application by offering a greener method. When an electrochemically active biofilm (EAB) was challenged with a solution of Degussa-TiO2 using sodium acetate as the electron donor, greyish blue-colored TiO2 nanocrystals were obtained. A band gap study showed that the band gap of the modified TiO2 nanocrystals was significantly reduced (Eg = 2.85 eV) compared to the unmodified white Degussa TiO2 (Eg = 3.10 eV).

  19. Band gap narrowing of titanium dioxide (TiO2) nanocrystals by electrochemically active biofilms and their visible light activity.

    PubMed

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

    2013-07-21

    We report a simple biogenic-route to narrow the band gap of TiO2 nanocrystals for visible light application by offering a greener method. When an electrochemically active biofilm (EAB) was challenged with a solution of Degussa-TiO2 using sodium acetate as the electron donor, greyish blue-colored TiO2 nanocrystals were obtained. A band gap study showed that the band gap of the modified TiO2 nanocrystals was significantly reduced (E(g) = 2.85 eV) compared to the unmodified white Degussa TiO2 (E(g) = 3.10 eV).

  20. Band gap and band offsets for ultrathin (HfO2)x(SiO2)1-x dielectric films on Si (100)

    NASA Astrophysics Data System (ADS)

    Jin, H.; Oh, S. K.; Kang, H. J.; Cho, M.-H.

    2006-09-01

    Energy band profile of ultrathin Hf silicate dielectrics, grown by atomic layer deposition, was studied by using x-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy. The band gap energy only slightly increases from 5.52eV for (HfO2)0.75(SiO2)0.25 to 6.10eV for (HfO2)0.25(SiO2)0.75, which is much smaller than 8.90eV for SiO2. For ultrathin Hf silicate dielectrics, the band gap is mainly determined by the Hf 5d conduction band state and the O 2p valence band state. The corresponding conduction band offsets are in the vicinity of 1eV, which satisfies the minimum requirement for the carrier barrier heights.

  1. Biologically inspired band-edge laser action from semiconductor with dipole-forbidden band-gap transition.

    PubMed

    Wang, Cih-Su; Liau, Chi-Shung; Sun, Tzu-Ming; Chen, Yu-Chia; Lin, Tai-Yuan; Chen, Yang-Fang

    2015-03-11

    A new approach is proposed to light up band-edge stimulated emission arising from a semiconductor with dipole-forbidden band-gap transition. To illustrate our working principle, here we demonstrate the feasibility on the composite of SnO2 nanowires (NWs) and chicken albumen. SnO2 NWs, which merely emit visible defect emission, are observed to generate a strong ultraviolet fluorescence centered at 387 nm assisted by chicken albumen at room temperature. In addition, a stunning laser action is further discovered in the albumen/SnO2 NWs composite system. The underlying mechanism is interpreted in terms of the fluorescence resonance energy transfer (FRET) from the chicken albumen protein to SnO2 NWs. More importantly, the giant oscillator strength of shallow defect states, which is served orders of magnitude larger than that of the free exciton, plays a decisive role. Our approach therefore shows that bio-materials exhibit a great potential in applications for novel light emitters, which may open up a new avenue for the development of bio-inspired optoelectronic devices.

  2. Photonic-band-gap engineering for volume plasmon polaritons in multiscale multilayer hyperbolic metamaterials

    NASA Astrophysics Data System (ADS)

    Zhukovsky, Sergei V.; Orlov, Alexey A.; Babicheva, Viktoriia E.; Lavrinenko, Andrei V.; Sipe, J. E.

    2014-07-01

    We study theoretically the propagation of large-wave-vector waves (volume plasmon polaritons) in multilayer hyperbolic metamaterials with two levels of structuring. We show that when the parameters of a subwavelength metal-dielectric multilayer (substructure) are modulated (superstructured) on a larger, wavelength scale, the propagation of volume plasmon polaritons in the resulting multiscale hyperbolic metamaterials is subject to photonic-band-gap phenomena. A great degree of control over such plasmons can be exerted by varying the superstructure geometry. When this geometry is periodic, stop bands due to Bragg reflection form within the volume plasmonic band. When a cavity layer is introduced in an otherwise periodic superstructure, resonance peaks of the Fabry-Pérot nature are present within the stop bands. More complicated superstructure geometries are also considered. For example, fractal Cantor-like multiscale metamaterials are found to exhibit characteristic self-similar spectral signatures in the volume plasmonic band. Multiscale hyperbolic metamaterials are shown to be a promising platform for large-wave-vector bulk plasmonic waves, whether they are considered for use as a kind of information carrier or for far-field subwavelength imaging.

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

    SciTech Connect

    Song, Lili; He, Juntao; Ling, Junpu

    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.

  4. Nanoscale Imaging of Band Gap and Defects in Polycrystalline CdTe Photovoltaic Devices

    NASA Astrophysics Data System (ADS)

    Zhitenev, Nikolai; Yoon, Yohan; Chae, Jungseok; Katzenmeyer, Aaron; Yoon, Heayoung; An, Sangmin; Shumacher, Joshua; Centrone, Andrea

    To further increase the power efficiency of polycrystalline thin film photovoltaic (PV) technology, a detailed understanding of microstructural properties of the devices is required. In this work, we investigate the microstructure of CdTe PV devices using two optical spectroscopies. Sub-micron thickness lamella samples were cut out from a PV device, either in cross-section or in-plane, by focused ion beam. The first technique is the photothermal induced resonance (PTIR) used to obtain absorption spectra over a broad range of wavelengths. In PTIR, a wavelength tunable pulsed laser is combined with an atomic force microscope to detect the local thermal expansion of lamella CdTe sample induced by light absorption. The second technique based on a near-field scanning optical microscope maps the local absorption at fixed near-IR wavelengths with energies at or below CdTe band-gap energy. The variation of the band gap throughout the CdTe absorber determined from PTIR spectra is ~ 20 meV. Both techniques detect strong spatial variation of shallow defects over different grains. The spatial distribution of mid-gap defects appears to be more uniform. The resolution, the sensitivity and the applicability of these two approaches are compared.

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

    NASA Astrophysics Data System (ADS)

    Song, Lili; He, Juntao; Ling, Junpu

    2015-05-01

    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.

  6. Mg (OH) 2-WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover

    NASA Astrophysics Data System (ADS)

    Yagmurcukardes, M.; Torun, E.; Senger, R. T.; Peeters, F. M.; Sahin, H.

    2016-11-01

    Magnesium hydroxide [Mg (OH) 2] has a layered brucitelike structure in its bulk form and was recently isolated as a new member of two-dimensional monolayer materials. We investigated the electronic and optical properties of monolayer crystals of Mg (OH) 2 and WS2 and their possible heterobilayer structure by means of first-principles calculations. It was found that both monolayers of Mg (OH) 2 and WS2 are direct-gap semiconductors and these two monolayers form a typical van der Waals heterostructure with a weak interlayer interaction and a type-II band alignment with a staggered gap that spatially separates electrons and holes. We also showed that an out-of-plane electric field induces a transition from a staggered to a straddling-type heterojunction. Moreover, by solving the Bethe-Salpeter equation on top of single-shot G0W0 calculations, we show that the low-energy spectrum of the heterobilayer is dominated by the intralyer excitons of the WS2 monolayer. Because of the staggered interfacial gap and the field-tunable energy-band structure, the Mg (OH) 2-WS2 heterobilayer can become an important candidate for various optoelectronic device applications in nanoscale.

  7. Strain Engineering of the Band Gap of HgTe Quantum Wells Using Superlattice Virtual Substrates

    NASA Astrophysics Data System (ADS)

    Leubner, Philipp; Lunczer, Lukas; Brüne, Christoph; Buhmann, Hartmut; Molenkamp, Laurens W.

    2016-08-01

    The HgTe quantum well (QW) is a well-characterized two-dimensional topological insulator (2D TI). Its band gap is relatively small (typically on the order of 10 meV), which restricts the observation of purely topological conductance to low temperatures. Here, we utilize the strain dependence of the band structure of HgTe QWs to address this limitation. We use CdTe-Cd 0.5Zn0.5Te strained-layer superlattices on GaAs as virtual substrates with adjustable lattice constant to control the strain of the QW. We present magnetotransport measurements, which demonstrate a transition from a semimetallic to a 2D-TI regime in wide QWs, when the strain is changed from tensile to compressive. Most notably, we demonstrate a much enhanced energy gap of 55 meV in heavily compressively strained QWs. This value exceeds the highest possible gap on common II-VI substrates by a factor of 2-3, and extends the regime where the topological conductance prevails to much higher temperatures.

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

    PubMed

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

    2006-04-01

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

  9. Pseudopotential Calculations of Band Gaps and Band Edges of Short-Period (InAs)n/(GaSb)m Superlattices with Different Substrates, Layer Orientations and Interfacial Bonds

    SciTech Connect

    Piquini, P.; Zunger, A.; Magri, R.

    2008-01-01

    The band edges and band gaps of (InAs){sub n}/(GaSb){sub m} (n,m=1,20) superlattices have been theoretically studied through the plane-wave empirical pseudopotential method for different situations: (i) different substrates, GaSb and InAs; (ii) different point group symmetries, C{sub 2v} and D{sub 2d}; and (iii) different growth directions, (001) and (110). We find that (a) the band gaps for the (001) C{sub 2v} superlattices on a GaSb substrate exhibit a nonmonotonic behavior as a function of the GaSb barrier thickness when the number of (InAs){sub n} layers exceed n=5; (b) substrate effects: compared with the GaSb substrate, the different strain field generated by the InAs substrate leads to a larger variation of the band gaps for the (001) C{sub 2v} superlattices as a function of the InAs well thickness; (c) effect of the type of interfacial bonds: the In-Sb bonds at the interfaces of the (001) D{sub 2d} superlattices partially pin the band edge states, reducing the influence of the confinement effects on electrons and holes, and lowering the band gaps as compared to the (001) C{sub 2v} case. The valence band maximum of the (001) D{sub 2d} superlattices with Ga-As bonds at the interfaces are shifted down, increasing the band gaps as compared to the (001) C{sub 2v} case; (d) effect of layer orientation: the presence of In-Sb bonds at both interfaces of the (110) superlattices pin the band edge states and reduces the band gaps, as compared to the (001) C{sub 2v} case. An anticrossing between the electron and hole levels in the (110) superlattices, for thin GaSb and thick InAs layers, leads to an increase of the band gaps, as a function of the InAs thickness; (e) superlattices vs random alloys: the comparison between the band edges and band gaps of the superlattices on a GaSb substrate and those for random alloys, lattice matched to a GaSb substrate, as a function of the In composition, shows that the random alloys present almost always higher band gaps and give a

  10. Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.

    PubMed

    Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V; Dhanya, R; Narayana, Chandrabhas; Peter, Sebastian C

    2016-04-04

    We have demonstrated engineering of the electronic band gap of the hybrid materials based on POMs (polyoxometalates), by controlling its structural complexity through variation in the conditions of synthesis. The pH- and temperature-dependent studies give a clear insight into how these experimental factors affect the overall hybrid structure and its properties. Our structural manipulations have been successful in effectively tuning the optical band gap and electronic band structure of this kind of hybrids, which can find many applications in the field of photovoltaic and semiconducting devices. We have also addressed a common crystallographic disorder observed in Keggin-ion (one type of heteropolyoxometalate [POMs])-based hybrid materials. Through a combination of crystallographic, spectroscopic, and theoretical analysis of four new POM-based hybrids synthesized with tactically varied reaction conditions, we trace the origin and nature of the disorder associated with it and the subtle local structural coordination involved in its core picture. While the crystallography yields a centrosymmetric structure with planar coordination of Si, our analysis with XPS, IR, and Raman spectroscopy reveals a tetrahedral coordination with broken inversion symmetry, corroborated by first-principles calculations.

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

    PubMed Central

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

    2015-01-01

    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. PMID:26563679

  12. Relationship between quantum speed limit time and memory time in a photonic-band-gap environment

    NASA Astrophysics Data System (ADS)

    Wang, J.; Wu, Y. N.; Mo, M. L.; Zhang, H. Z.

    2016-12-01

    Non-Markovian effect is found to be able to decrease the quantum speed limit (QSL) time, and hence to enhance the intrinsic speed of quantum evolution. Although a reservoir with larger degree of non-Markovianity may seem like it should cause smaller QSL times, this seemingly intuitive thinking may not always be true. We illustrate this by investigating the QSL time of a qubit that is coupled to a two-band photonic-band-gap (PBG) environment. We show how the QSL time is influenced by the coherent property of the reservoir and the band-gap width. In particular, we find that the decrease of the QSL time is not attributed to the increasing non-Markovianity, while the memory time of the environment can be seen as an essential reflection to the QSL time. So, the QSL time provides a further insight and sharper identification of memory time in a PBG environment. We also discuss a feasible experimental realization of our prediction.

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

    PubMed

    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.

  14. Relationship between quantum speed limit time and memory time in a photonic-band-gap environment

    PubMed Central

    Wang, J.; Wu, Y. N.; Mo, M. L.; Zhang, H. Z.

    2016-01-01

    Non-Markovian effect is found to be able to decrease the quantum speed limit (QSL) time, and hence to enhance the intrinsic speed of quantum evolution. Although a reservoir with larger degree of non-Markovianity may seem like it should cause smaller QSL times, this seemingly intuitive thinking may not always be true. We illustrate this by investigating the QSL time of a qubit that is coupled to a two-band photonic-band-gap (PBG) environment. We show how the QSL time is influenced by the coherent property of the reservoir and the band-gap width. In particular, we find that the decrease of the QSL time is not attributed to the increasing non-Markovianity, while the memory time of the environment can be seen as an essential reflection to the QSL time. So, the QSL time provides a further insight and sharper identification of memory time in a PBG environment. We also discuss a feasible experimental realization of our prediction. PMID:28008937

  15. Modulation of Dirac points and band-gaps in graphene via periodic fullerene adsorption

    NASA Astrophysics Data System (ADS)

    Liu, Xiao; Wen, Yanwei; Chen, Zhengzheng; Lin, Hao; Chen, Rong; Cho, Kyeongjae; Shan, Bin

    2013-05-01

    The structural, energetic and electronic properties of periodic graphene nanobud (PGNB) with small-diameter fullerenes (C20, C34, C42, and C60) adsorbed have been investigated by first-principles plane wave method. The bond-to-ring cycloaddition is found to be energetically most stable among various configurations and the minimum energy paths of different-sized fullerenes attaching to graphene indicate that smaller fullerene shows lower energy barriers due to its larger surface curvature. For perfectly ordered adsorption, band structures analyses by both density functional theory (DFT) and tight binding (TB) methods show that the Dirac cone of graphene can be generally preserved despite the sp2 to sp3 bond hybridization change for selected carbon atoms in graphene sheet. However, the position of the Dirac points inside the Brillouin zone has a shift from the hexagonal corner and can be effectively modulated by changing the fullerenes' concentration. For practical applications, we show that a considerable band gap (˜0.35 eV) can be opened by inducing randomness in the orientation of the fullerene adsorption and an effective order parameter is identified that correlates well with the magnitude of the band gap opening.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

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

    2008-08-04

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

  18. Double-hole-mediated coupling of dopants and its impact on band gap engineering in TiO2.

    PubMed

    Yin, Wan-Jian; Wei, Su-Huai; Al-Jassim, Mowafak M; Yan, Yanfa

    2011-02-11

    A double-hole-mediated coupling of dopants is unraveled and confirmed in TiO2 by density-functional theory calculations. We find that when a dopant complex on neighboring oxygen sites in TiO2 has net two holes, the holes will strongly couple to each other through significant lattice relaxation. The coupling results in the formation of fully filled impurity bands lying above the valence band of TiO2, leading to a much more effective band gap reduction than that induced by monodoping or conventional donor-acceptor codoping. Our results suggest a new path for semiconductor band gap engineering.

  19. Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniques

    PubMed Central

    Limaye, Mukta V.; Chen, S. C.; Lee, C. Y.; Chen, L. Y.; Singh, Shashi B.; Shao, Y. C.; Wang, Y. F.; Hsieh, S. H.; Hsueh, H. C.; Chiou, J. W.; Chen, C. H.; Jang, L. Y.; Cheng, C. L.; Pong, W. F.; Hu, Y. F.

    2015-01-01

    The correlation between sub-band gap absorption and the chemical states and electronic and atomic structures of S-hyperdoped Si have been extensively studied, using synchrotron-based x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge spectroscopy (XANES), extended x-ray absorption fine structure (EXAFS), valence-band photoemission spectroscopy (VB-PES) and first-principles calculation. S 2p XPS spectra reveal that the S-hyperdoped Si with the greatest (~87%) sub-band gap absorption contains the highest concentration of S2− (monosulfide) species. Annealing S-hyperdoped Si reduces the sub-band gap absorptance and the concentration of S2− species, but significantly increases the concentration of larger S clusters [polysulfides (Sn2−, n > 2)]. The Si K-edge XANES spectra show that S hyperdoping in Si increases (decreased) the occupied (unoccupied) electronic density of states at/above the conduction-band-minimum. VB-PES spectra evidently reveal that the S-dopants not only form an impurity band deep within the band gap, giving rise to the sub-band gap absorption, but also cause the insulator-to-metal transition in S-hyperdoped Si samples. Based on the experimental results and the calculations by density functional theory, the chemical state of the S species and the formation of the S-dopant states in the band gap of Si are critical in determining the sub-band gap absorptance of hyperdoped Si samples. PMID:26098075

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

    NASA Astrophysics Data System (ADS)

    Jani, Omkar K.

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

  1. Hofstadter butterflies and magnetically induced band-gap quenching in graphene antidot lattices

    NASA Astrophysics Data System (ADS)

    Pedersen, Jesper Goor; Pedersen, Thomas Garm

    2013-06-01

    We study graphene antidot lattices (GALs) in magnetic fields. Using a tight-binding model and a recursive Green's function technique that we extend to deal with periodic structures, we calculate Hofstadter butterflies of GALs. We compare the results to those obtained in a simpler gapped graphene model. A crucial difference emerges in the behavior of the lowest Landau level, which in a gapped graphene model is independent of magnetic field. In stark contrast to this picture, we find that in GALs the band gap can be completely closed by applying a magnetic field. While our numerical simulations can only be performed on structures much smaller than can be experimentally realized, we find that the critical magnetic field for which the gap closes can be directly related to the ratio between the cyclotron radius and the neck width of the GAL. In this way, we obtain a simple scaling law for extrapolation of our results to more realistically sized structures and find resulting quenching magnetic fields that should be well within reach of experiments.

  2. Two-pattern compound photonic crystals with a large complete photonic band gap

    SciTech Connect

    Jia Lin; Thomas, Edwin L.

    2011-09-15

    We present a set of two-dimensional aperiodic structures with a large complete photonic band gap (PBG), which are named two-pattern photonic crystals. By superposing two substructures without regard to registration, we designed six new aperiodic PBG structures having a complete PBG larger than 15% for {epsilon}{sub 2}/{epsilon}{sub 1} = 11.4. The rod-honeycomb two-pattern photonic crystal provides the largest complete PBG to date. An aperiodic structure becomes the champion structure with the largest PBG. Surprisingly, the TM and TE gaps of a two-pattern photonic crystal are much less interdependent than the PBGs of conventional photonic crystals proposed before, affording interesting capabilities for us to tune the TM and TE PBGs separately. By altering the respective substructures, optical devices for different polarizations (TE, TM, or both) can readily be designed.

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

    SciTech Connect

    Gao, Enlai; Xie, Bo; Xu, Zhiping

    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.

  4. The Luminescence of Wide Band Gap II-Mn-VI Semimagnetic Semiconductors

    NASA Astrophysics Data System (ADS)

    Benecke, Carsten; Gumlich, Hans-Eckhart

    The following sections are included: * INTRODUCTION * BASIC CONSIDERATIONS * The Forbidden Gap As A Function Of The Mn Concentration * The Ground State Of Mn2+ In The II-VI Compounds * The Dependence Of The Luminescence Upon The Mn Concentration * The Selfactivated Luminescence * The Time Dependence Of Luminescence Emission * LUMINESCENCE PROPERTIES OF DIFFERENT WIDE BAND GAP II-Mn-VI SMSCs * Zn1-xMnxS * Emission * Excitation * Transient measurements * Cdl-xMnXS * Emission * Excitation * Transient measurements * Zn1-xMnxSe * Emission * Excitation * Transient measurements * Cd1-xMnxSe * Emission * Excitation * Zn1-xMnxTe * Emission * Excitation * Transient measurements * Cd1-xMnxTe * Emission * Excitation * Transient measurements * ON THE NATURE OF THE Mn CORRELATED LUMINESCENCE CENTERS AND CHEMICAL TRENDS * Acknowledgement * REFERENCES

  5. The optical band gap and surface free energy of polyethylene modified by electron beam irradiations

    NASA Astrophysics Data System (ADS)

    Abdul-Kader, A. M.

    2013-04-01

    In this study, investigations have been carried out on electron beam irradiated ultra high molecular weight polyethylene (UHMWPE). Polyethylene samples were irradiated with 1.5 MeV electron beam at doses ranging from 50 to 500 kGy. Modifications in optical properties and photoluminescence behavior of the polymer were evaluated by UV-vis and photoluminescence techniques. Changes of surface layer composition of UHMWPE produced by electron irradiations were studied by Rutherford back scattering spectrometry (RBS). The change in wettability and surface free energy induced by irradiations was also investigated. The optical absorption studies reveal that both optical band gap and Urbach's energy decreases with increasing electron dose. A correlation between energy gap and the number of carbon atoms in clusters is discussed. Photoluminescence spectra were reveal remarkable decrease in the integrated luminescence intensity with increasing irradiation dose. Contact angle measurements showed that wettability and surface free energy increases with increasing the irradiation dose.

  6. Do anionic titanium dioxide nano-clusters reach bulk band gap? A density functional theory study.

    PubMed

    Qu, Zheng-Wang; Zhu, Hui

    2010-07-30

    The electronic properties of both neutral and anionic (TiO(2))(n) (n = 1-10) clusters are investigated by extensive density functional theory calculations. The predicted electron detachment energies and excitation gaps of anionic clusters agree well with the original experimental anion photoelectron spectra (APES). It is shown that the old way to analyze APES tends to overestimate vertical excitation gaps (VGA) of large anionic clusters, due to the nature of multiple electronic origins for the higher APES bands. Moreover, the VGA of anionic TiO(2) clusters are evidently smaller than those of neutral clusters, which may also be the case for other metal oxide clusters with high electron affinity.

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

    NASA Astrophysics Data System (ADS)

    Mosallaei, Hossein

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

  8. Tunable doping and band gap of graphene on functionalized hexagonal boron nitride with hydrogen and fluorine.

    PubMed

    Tang, Shaobin; Yu, Jianping; Liu, Liangxian

    2013-04-14

    First-principles calculations have been used to investigate the structural and electronic properties of graphene supported on functionalized hexagonal boron nitride (h-BN) with hydrogen and fluorine atoms. Our results show that the hydrogenation and fluorination of the h-BN substrate modify the electronic properties of graphene. Interactions of graphene with fully hydrogenated or fully fluorinated h-BN and half-hydrogenated and half-fluorinated h-BN with H at N sites and F at the B sites can lead to n- or p-type doping of graphene. The different doping effect may be attributed to the significant charge transfer from graphene to the substrate. Interestingly, when graphene is supported on the functionalized h-BN with H at B sites and F at N sites (G/HBNF), a finite band gap of 79 meV in graphene is opened due to the equivalence breaking of two sublattices of graphene, and can be effectively modulated by changing the interlayer spacing, increasing the number of functionalized BN layers, and applying an external electric field. More importantly, the modification of the band gap in G/HBNF with a functionalized BN bilayer by the electric field is more pronounced than that of the single-layer h-BN, which is increased to 408 meV with 0.8 V Å(-1). Thus, graphene on chemically modified h-BN with a tunable and sizeable band gap may provide a novel way for fabricating high-performance graphene-based nanodevices.

  9. Design and testing of photonic band gap channel-drop-filters

    SciTech Connect

    Shchegolkov, Dmitry; Earley, Lawrence M; Health, Cynthia E; Smirnova, Evgenya I

    2009-01-01

    We have designed, fabricated and tested several novel passive mm-wave spectrometers based on Photonic Band Gap (PBG) structures. Our spectrometers were designed to operate in the frequency ranges of 90-130 and 220-300 GHz. We built and tested both metallic and dielectric silicon Channel-Drop-Filter (CDF) structures at 90-130 GHz. We are currently fabricating a dielectric CDF structure to operate at 220-300 GHz. The complete recent test results for the metal version and preliminary test results for the higher frequency silicon versions will be presented at the conference.

  10. Tunable Band Gaps and Excitons in Doped Semiconducting Carbon Nanotubes Made Possible by Acoustic Plasmons

    NASA Astrophysics Data System (ADS)

    Spataru, Catalin D.; Léonard, François

    2010-04-01

    Doping of semiconductors is essential in modern electronic and photonic devices. While doping is well understood in bulk semiconductors, the advent of carbon nanotubes and nanowires for nanoelectronic and nanophotonic applications raises some key questions about the role and impact of doping at low dimensionality. Here we show that for semiconducting carbon nanotubes, band gaps and exciton binding energies can be dramatically reduced upon experimentally relevant doping, and can be tuned gradually over a broad range of energies in contrast with higher dimensional systems. The latter feature is made possible by a novel mechanism involving strong dynamical screening effects mediated by acoustic plasmons.

  11. Diameter scaling of the optical band gap in individual CdSe nanowires.

    PubMed

    Myalitsin, Anton; Strelow, Christian; Wang, Zhe; Li, Zhen; Kipp, Tobias; Mews, Alf

    2011-10-25

    The diameter dependence of the optical band gap of single CdSe nanowires (NWs) is investigated by a combination of atomic force microscopy, scanning fluorescence microscopy, and transmission electron microscopy. We find a good congruence of the experimental data to calculations within the effective mass approximation taking into account quantization, exciton Coulomb interaction, and dielectric mismatch. The experimental data are furthermore compared to different theoretical approaches. We discuss the influence of alternating wurtzite and zinc blende segments along the NWs on their optical properties.

  12. A Large-Area Transferable Wide Band Gap 2D Silicon Dioxide Layer.

    PubMed

    Büchner, Christin; Wang, Zhu-Jun; Burson, Kristen M; Willinger, Marc-Georg; Heyde, Markus; Schlögl, Robert; Freund, Hans-Joachim

    2016-08-23

    An atomically smooth silica bilayer is transferred from the growth substrate to a new support via mechanical exfoliation at millimeter scale. The atomic structure and morphology are maintained perfectly throughout the process. A simple heating treatment results in complete removal of the transfer medium. Low-energy electron diffraction, Auger electron spectroscopy, scanning tunneling microscopy, and environmental scanning electron microscopy show the success of the transfer steps. Excellent chemical and thermal stability result from the absence of dangling bonds in the film structure. By adding this wide band gap oxide to the toolbox of 2D materials, possibilities for van der Waals heterostructures will be broadened significantly.

  13. Theoretical and experimental study of kinetics of photoexcited carriers in wide band gap semiconductors

    NASA Astrophysics Data System (ADS)

    Shishehchi, Sara; Rudin, Sergey; Garrett, Gregory; Wraback, Michael; Bellotti, Enrico

    2013-03-01

    We present a theoretical and experimental study of the subpicosecond kinetics of photo-excited carriers in the wide band gap semiconductors GaN and ZnO. In the theoretical model, interaction with a photo-excitation laser pulse is treated coherently and a generalized Monte Carlo simulation is used to account for scattering and dephasing. The scattering mechanisms included are carrier interactions with polar optical phonons and acoustic phonons, and carrier-carrier Coulomb interactions. For comparison, experimental time-resolved photoluminescence studies on GaN and ZnO samples are performed over a range of temperatures and excitation powers.

  14. Direct space-time observation of pulse tunneling in an electromagnetic band gap

    SciTech Connect

    Doiron, Serge; Hache, Alain; Winful, Herbert G.

    2007-08-15

    We present space-time-resolved measurements of electromagnetic pulses tunneling through a coaxial electromagnetic band gap structure. The results show that during the tunneling process the field distribution inside the barrier is an exponentially decaying standing wave whose amplitude increases and decreases as it slowly follows the temporal evolution of the input pulse. At no time is a pulse maximum found inside the barrier, and hence the transmitted peak is not the incident peak that has propagated to the exit. The results support the quasistatic interpretation of tunneling dynamics and confirm that the group delay is not the traversal time of the input pulse peak.

  15. Propagation of optical vortices in a nonlinear atomic medium with a photonic band gap.

    PubMed

    Zhang, Zhaoyang; Ma, Danmeng; Zhang, Yiqi; Cao, Mingtao; Xu, Zhongfeng; Zhang, Yanpeng

    2017-03-15

    We experimentally generate a vortex beam through a four-wave mixing (FWM) process after satisfying the phase-matching condition in a rubidium atomic vapor cell with a photonic band gap (PBG) structure. The observed FWM vortex can also be viewed as the reflected part of the launched probe vortex from the PBG. Further, we investigate the propagation behaviors, including the spatial shift and splitting of the probe and FWM vortices in the medium with enhanced Kerr nonlinearity induced by electromagnetically induced transparency. This Letter can be useful for better understanding and manipulating the applications involving the interactions between optical vortices and the medium.

  16. Vanishing Electronic Energy Loss of Very Slow Light Ions in Insulators with Large Band Gaps

    SciTech Connect

    Markin, S. N.; Primetzhofer, D.; Bauer, P.

    2009-09-11

    Electronic energy loss of light ions in nanometer films of materials with large band gaps has been studied for very low velocities. For LiF, a threshold velocity is observed at 0.1 a.u. (250 eV/u), below which the ions move without transferring energy to the electronic system. For KCl, a lower (extrapolated) threshold velocity is found, identical for H and He ions. For SiO{sub 2}, no clear velocity threshold is observed for He particles. For protons and deuterons, electronic stopping is found to perfectly fulfill velocity scaling, as expected for binary ion-electron interaction.

  17. Depth-resolved band gap in Cu(In,Ga)(S,Se)2 thin films

    SciTech Connect

    Bar, M.; Nishiwaki, S.; Weinhardt, L.; Pookpanratana, S.; Fuchs, O.; Blum, M.; Yang, W.; Denlinger, J. D.; Shafarman, W.; Heske, C.

    2008-06-24

    The surface composition of Cu(In,Ga)(S,Se)2 (?CIGSSe?) thin films intrinsically deviates from the corresponding bulk composition, which also modifies the electronic structure and thus the optical properties.We have used a combination of photon and electron spectroscopies with different information depths to gain depth-resolved information on the band gap energy (Eg) in CIG(S)Se thin films. We find an increasing Eg with decreasing information depth, indicating the formation of a surface region with significantly higher Eg. This Eg-widened surface region extends further into the bulk of the sulfur-free CIGSe thin film compared to the CIGSSe thin film.

  18. Depth-resolved band gap in Cu(In,Ga)(S,Se)2 thin films

    NASA Astrophysics Data System (ADS)

    Bär, M.; Nishiwaki, S.; Weinhardt, L.; Pookpanratana, S.; Fuchs, O.; Blum, M.; Yang, W.; Denlinger, J. D.; Shafarman, W. N.; Heske, C.

    2008-12-01

    The surface composition of Cu(In,Ga)(S,Se)2 ("CIGSSe") thin films intrinsically deviates from the corresponding bulk composition, which also modifies the electronic structure and thus the optical properties. We used a combination of photon and electron spectroscopies with different information depths to gain depth-resolved information on the band gap energy (Eg) in CIG(S)Se thin films. We find an increasing Eg with decreasing information depth, indicating the formation of a surface region with significantly higher Eg. This Eg-widened surface region extends further into the bulk of the sulfur-free CIGSe thin film compared to the CIGSSe thin film.

  19. The determination of the conduction mechanism and optical band gap of fluorescein sodium salt

    NASA Astrophysics Data System (ADS)

    Yakuphanoglu, Fahrettin; Sekerci, Memet; Evin, Ertan

    2006-06-01

    The electrical conductivity and optical properties of fluorescein sodium salt in the temperature range of 295-370 K have been investigated. Various conduction models described in the literature were used to elucidate the charge transport mechanism of the compound. It is found that the charge transfer mechanism of the compound is understood in terms of grain boundary scattering. It can be evaluated that the obtained electronic parameters such as mobility, conductivity at room temperature, activation energy and optical band gap suggest that the compound is an organic semiconductor.

  20. Analysis of plasma-magnetic photonic crystal with a tunable band gap

    SciTech Connect

    Mehdian, H.; Mohammadzahery, Z.; Hasanbeigi, A.

    2013-04-15

    In this paper, electromagnetic wave propagation through the one-dimensional plasma-magnetic photonic crystal in the presence of external magnetic field has been analyzed. The dispersion relation, transmission and reflection coefficients have been obtained by using the transfer matrix method. It is investigated how photonic band gap of photonic crystals will be tuned when both dielectric function {epsilon} and magnetic permeability {mu} of the constitutive materials, depend on applied magnetic field. This is shown by one dimensional photonic crystals consisting of plasma and ferrite material layers stacked alternately.

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

    NASA Astrophysics Data System (ADS)

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

    2012-05-01

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

  2. Non-Band-Gap Photoexcitation of Hydroxylated TiO2.

    PubMed

    Zhang, Yu; Payne, Daniel T; Pang, Chi L; Fielding, Helen H; Thornton, Geoff

    2015-09-03

    The photochemistry of TiO2 has been studied intensively since it was discovered that TiO2 can act as a photocatalyst. Nevertheless, it has proven difficult to establish the detailed charge-transfer processes involved, partly because the excited states involved are difficult to study. Here we present evidence of the existence of hydroxyl-induced excited states in the conduction band region. Using two-photon photoemission, we show that stepwise photoexcitation from filled band gap states lying 0.8 eV below the Fermi level of rutile TiO2(110) excites hydroxyl-induced states 2.73 eV above the Fermi level that has an onset energy of ∼3.1 eV. The onset is shifted to lower energy by the coadsorption of molecular water, which suggests a means of tuning the energy of the excited state.

  3. Generation of megawatt optical solitons in hollow-core photonic band-gap fibers.

    PubMed

    Ouzounov, Dimitre G; Ahmad, Faisal R; Müller, Dirk; Venkataraman, Natesan; Gallagher, Michael T; Thomas, Malcolm G; Silcox, John; Koch, Karl W; Gaeta, Alexander L

    2003-09-19

    The measured dispersion of a low-loss, hollow-core photonic band-gap fiber is anomalous throughout most of the transmission band, and its variation with wavelength is large compared with that of a conventional step-index fiber. For an air-filled fiber, femtosecond self-frequency--shifted fundamental solitons with peak powers greater than 2megawatts can be supported. For Xe-filled fibers, nonfrequency-shifted temporal solitons with peak powers greater than 5.5 megawatts can be generated, representing an increase in the power that can be propagated in an optical fiber of two orders of magnitude. The results demonstrate a unique capability to deliver high-power pulses in a single spatial mode over distances exceeding 200 meters.

  4. Reflectance properties of two-dimensional sonic band-gap crystals.

    PubMed

    Sanchis, L; Cervera, F; Sánchez-Dehesa, J; Sánchez-Pérez, J V; Rubio, C; Martínez-Sala, R

    2001-06-01

    An analysis of the reflectance of sonic band-gap crystals consisting of square arrays of rigid cylinders in air is presented. The standing wave formed in front of the structures is studied both experimentally and theoretically. Experiments have been performed with a mobile robotized microphone that obtains pressure maps on the plane perpendicular to the axes of the cylinders. Enhancements of the standing wave ratio (SWR) are observed in frequency regions where attenuation bands appear in zero-order transmission experiments. Also, the SWR presents oscillations that can be related to the finite dimension of the structure (Fabry-Perot effect). Both features are well described by calculations based on a double-scattering approach.

  5. Band gap engineering of ZnO by doping with Mg

    NASA Astrophysics Data System (ADS)

    Rana, N.; Chand, Subhash; Gathania, Arvind K.

    2015-08-01

    Mg-doped zinc oxide (MgxZn1-xO (0 ≤ x ≤ 0.20)) samples were synthesized by polymeric precursor method. The structural and optical properties were investigated by x-ray diffractometer (XRD), field emission scanning electron microscope (FE-SEM), UV-visible spectroscopy, Fourier transform infrared (FTIR) and Raman spectroscopy. XRD patterns reveal that synthesized samples have a wurtzite structure. Lattice parameters, the degree of distortion of the samples were calculated from the XRD. SEM images show that the synthesized samples contain the elongated spherical shaped grains. The Raman scattering investigation and FTIR spectra authenticate the presence of Mg in the system and also show phase segregation at the higher Mg doping concentration. Optical band gap energy is determined from the Tauc relation. It is interesting to know that optical band energy exhibits blue shift with the increase of Mg doping concentration up to 16 mole %.

  6. Pseudomorphic GeSn/Ge(001) quantum wells: Examining indirect band gap bowing

    SciTech Connect

    Tonkikh, Alexander A.; Eisenschmidt, Christian; Schmidt, Georg; Talalaev, Vadim G.; Zakharov, Nikolay D.; Werner, Peter; Schilling, Joerg

    2013-07-15

    A study of the bandgap character of compressively strained GeSn{sub 0.060-0.091}/Ge(001) quantum wells grown by molecular beam epitaxy is reported. The built-in strain in GeSn wells leads to an increased separation between L and {Gamma} conduction band minima. The prevalent indirect interband transitions in GeSn were probed by photoluminescence spectroscopy. As a result we could simulate the L-valley bowing parameter in GeSn alloys, b{sub L} = 0.80 {+-} 0.06 eV at 10 K. From this we conclude that even compressively strained GeSn/Ge(001) alloys could become direct band gap semiconductors at the Sn-fraction higher than 17.0 at. %.

  7. Indirect-direct band gap transition through electric tuning in bilayer MoS{sub 2}

    SciTech Connect

    Zhang, Z. Y.; Si, M. S. Wang, Y. H.; Gao, X. P.; Sung, Dongchul; Hong, Suklyun; He, Junjie

    2014-05-07

    We investigate the electronic properties of bilayer MoS{sub 2} exposed to an external electric field by using first-principles calculations. It is found that a larger interlayer distance, referring to that by standard density functional theory (DFT) with respect to that by DFT with empirical dispersion corrections, makes indirect-direct band gap transition possible by electric control. We show that external electric field effectively manipulates the valence band contrast between the K- and Γ-valleys by forming built-in electric dipole fields, which realizes an indirect-direct transition before a semiconductor-metal transition happens. Our results provide a novel efficient access to tune the electronic properties of two-dimensional layered materials.

  8. Wave propagation and acoustic band gaps of two-dimensional liquid crystal/solid phononic crystals

    NASA Astrophysics Data System (ADS)

    Oltulu, Oral; Mamedov, Amirullah M.; Ozbay, Ekmel

    2017-01-01

    The vast majority of acoustic wave propagation in phononic band studies has been usually carried out by scattering inclusions embedded in a viscoelastic medium, such as air or water. In this study, we present calculated band structure results for the two-dimensional square array geometry of a solid cylindrical scatterer surrounded by a liquid crystal (LC) matrix. Liquid crystals provide a unique combination of liquid-like and crystal-like properties as well as anisotropic properties. The purpose of using LC material is to take advantage of longitudinal acoustic waves propagating parallel (||) and perpendicular (⊥) to the nematic liquid crystal (NLC) director n. The compound used in this study was a room temperature NLC, called 5CB (4-pentyl-4'-cyanobiphenyl). The acoustic band structure of a two-dimensional phononic crystal containing a 5CB NLC and lithium tantalate was investigated by the plane wave expansion method. The theoretical results show that the solid/LC system can be tuned in a favorable configuration for adjusting or shifting acoustic band gaps.

  9. Calculation of optical band gaps of a-Si:H thin films by ellipsometry and UV-Vis spectrophotometry

    NASA Astrophysics Data System (ADS)

    Qiu, Yijiao; Li, Wei; Wu, Maoyang; Fu, Junwei; Jiang, Yadong

    2010-10-01

    Hydrogenated amorphous silicon (a-Si:H) thin films doped with Phosphorus (P) and Nitrogen (N) were deposited by radio frequency plasma enhanced chemical vapor deposition (RF-PECVD). The optical band gaps of the thin films obtained through either changing the gas pressure (P-doped only) or adulterating nitrogen concentration (with fixed P content) were investigated by means of Ellipsometric and Ultraviolet-Visible (UV-Vis) spectroscopy, respectively. Tauc formula was used in calculating the optical band gaps of the thin films in both methods. The results show that Ellipsometry and UV-Vis spectrophotometry can be applied in the research of the optical properties of a-Si:H thin films experimentally. Both methods reflect the variation law of the optical band gaps caused by CVD process parameters, i.e., the optical band gap of the a-Si:H thin films is increased with the rise of the gas pressure or the nitrogen concentration respectively. The difference in optical band gaps of the doped a-Si:H thin films calculated by Ellipsometry or UV-Vis spectrophotometry are not so great that they both can be used to measure the optical band gaps of the thin films in practical applications.

  10. Band-inverted gaps in InAs/GaSb and GaSb/InAs core-shell nanowires

    PubMed Central

    Luo, Ning; Huang, Guang-Yao; Liao, Gaohua; Ye, Lin-Hui; Xu, H. Q.

    2016-01-01

    The [111]-oriented InAs/GaSb and GaSb/InAs core-shell nanowires have been studied by the 8 × 8 Luttinger-Kohn Hamiltonian to search for non-vanishing fundamental gaps between inverted electron and hole bands. We focus on the variations of the band-inverted fundamental gap, the hybridization gap, and the effective gap with the core radius and shell thickness of the nanowires. The evolutions of all the energy gaps with the structural parameters are shown to be dominantly governed by the effect of quantum confinement. With a fixed core radius, a band-inverted fundamental gap exists only at intermediate shell thicknesses. The maximum band-inverted gap found is ~4.4 meV for GaSb/InAs and ~3.5 meV for InAs/GaSb core-shell nanowires, and for the GaSb/InAs core-shell nanowires the gap persists over a wider range of geometrical parameters. The intrinsic reason for these differences between the two types of nanowires is that in the shell the electron-like states of InAs is more delocalized than the hole-like state of GaSb, while in the core the hole-like state of GaSb is more delocalized than the electron-like state of InAs, and both favor a stronger electron-hole hybridization. PMID:27924856

  11. Band-inverted gaps in InAs/GaSb and GaSb/InAs core-shell nanowires

    NASA Astrophysics Data System (ADS)

    Luo, Ning; Huang, Guang-Yao; Liao, Gaohua; Ye, Lin-Hui; Xu, H. Q.

    2016-12-01

    The [111]-oriented InAs/GaSb and GaSb/InAs core-shell nanowires have been studied by the 8 × 8 Luttinger-Kohn Hamiltonian to search for non-vanishing fundamental gaps between inverted electron and hole bands. We focus on the variations of the band-inverted fundamental gap, the hybridization gap, and the effective gap with the core radius and shell thickness of the nanowires. The evolutions of all the energy gaps with the structural parameters are shown to be dominantly governed by the effect of quantum confinement. With a fixed core radius, a band-inverted fundamental gap exists only at intermediate shell thicknesses. The maximum band-inverted gap found is ~4.4 meV for GaSb/InAs and ~3.5 meV for InAs/GaSb core-shell nanowires, and for the GaSb/InAs core-shell nanowires the gap persists over a wider range of geometrical parameters. The intrinsic reason for these differences between the two types of nanowires is that in the shell the electron-like states of InAs is more delocalized than the hole-like state of GaSb, while in the core the hole-like state of GaSb is more delocalized than the electron-like state of InAs, and both favor a stronger electron-hole hybridization.

  12. Nanotexturing To Enhance Photoluminescent Response of Atomically Thin Indium Selenide with Highly Tunable Band Gap.

    PubMed

    Brotons-Gisbert, Mauro; Andres-Penares, Daniel; Suh, Joonki; Hidalgo, Francisco; Abargues, Rafael; Rodríguez-Cantó, Pedro J; Segura, Alfredo; Cros, Ana; Tobias, Gerard; Canadell, Enric; Ordejón, Pablo; Wu, Junqiao; Martínez-Pastor, Juan P; Sánchez-Royo, Juan F

    2016-05-11

    Manipulating properties of matter at the nanoscale is the essence of nanotechnology, which has enabled the realization of quantum dots, nanotubes, metamaterials, and two-dimensional materials with tailored electronic and optical properties. Two-dimensional semiconductors have revealed promising perspectives in nanotechnology. However, the tunability of their physical properties is challenging for semiconductors studied until now. Here we show the ability of morphological manipulation strategies, such as nanotexturing or, at the limit, important surface roughness, to enhance light absorption and the luminescent response of atomically thin indium selenide nanosheets. Besides, quantum-size confinement effects make this two-dimensional semiconductor to exhibit one of the largest band gap tunability ranges observed in a two-dimensional semiconductor: from infrared, in bulk material, to visible wavelengths, at the single layer. These results are relevant for the design of new optoelectronic devices, including heterostructures of two-dimensional materials with optimized band gap functionalities and in-plane heterojunctions with minimal junction defect density.

  13. Band-gap engineering by Bi intercalation of graphene on Ir(111)

    NASA Astrophysics Data System (ADS)

    Warmuth, Jonas; Bruix, Albert; Michiardi, Matteo; Hänke, Torben; Bianchi, Marco; Wiebe, Jens; Wiesendanger, Roland; Hammer, Bjørk; Hofmann, Philip; Khajetoorians, Alexander A.

    2016-04-01

    We report on the structural and electronic properties of a single bismuth layer intercalated underneath a graphene layer grown on an Ir(111) single crystal. Scanning tunneling microscopy (STM) reveals a hexagonal surface structure and a dislocation network upon Bi intercalation, which we attribute to a √{3 }×√{3 }R 30∘ Bi structure on the underlying Ir(111) surface. Ab initio calculations show that this Bi structure is the most energetically favorable and illustrate that STM measurements are most sensitive to C atoms in close proximity to intercalated Bi atoms. Additionally, Bi intercalation induces a band gap (Eg=0.42 eV) at the Dirac point of graphene and an overall n doping (˜0.39 eV ) as seen in angular-resolved photoemission spectroscopy. We attribute the emergence of the band gap to the dislocation network which forms favorably along certain parts of the moiré structure induced by the graphene/Ir(111) interface.

  14. Crystal structure and band gap studies of sodalite: experimental and calculated results

    NASA Astrophysics Data System (ADS)

    Pan, Lijun; Liu, Wanchao; Chen, Weiguang; Yan, Kun; Yang, Huizhi; Yu, Jia

    2016-02-01

    In this paper, we investigated the crystal structural properties of sodalite sample by X-ray diffraction and the band gap studies by means of UV-Vis absorption spectroscopy, and compared with the calculated results using density functional theory. The results of X-ray diffraction suggests that the chemical formula should be Na8(AlSiO6)4(OH)2·2(H2O). The optimized lattice parameter is found to be larger 0.45% than experimental value and the calculations demonstrated the structural details of the hydrogen bond located in sodalite cage. The hydrogen bond formed by water molecule and hydroxyl is implied from charge distribution analysis. As the rotation angle of O-O lines in hydrogen bond is 51.8°, the structure should be of the lowest energy. The optical band gap is measured to be 4.5-4.7 eV experimentally, while, the calculated value is 4.16 eV which is attributed to the localized state below Fermi level formed by the hydrogen bonds. Our results are favorable for the understanding the role of sodalite in silicate mud and contribute to further disposals and treatments.

  15. Pentamodal property and acoustic band gaps of pentamode metamaterials with different cross-section shapes

    NASA Astrophysics Data System (ADS)

    Huang, Yan; Lu, Xuegang; Liang, Gongying; Xu, Zhuo

    2016-03-01

    Pentamodal property and acoustic band gaps of pentamode metamaterials with different cross-section shapes, including regular triangle, square, pentagon, hexagon and circle, have been comparatively studied by finite-element method. Results show that for the varying diameters of circumcircles in thick and thin ends of unit (D and d), the ratio of bulk modulus to shear modulus (B / G) and bandgaps of these five structures perform similar changing tendency. With the increasing d, B / G decreases and the single-mode bandgap moves toward high-frequency direction with the decreasing normalized bandwidth (Δω /ωg). With the increasing D, B / G keeps around the respective average value, and the single-mode bandgap firstly moves to high-frequency then to low-frequency direction with the firstly increasing and then decreasing Δω /ωg. Complete bandgap appears as D reaching to critical value for each given d, then moves to high-frequency direction. For same parameters the triangle case has highest B / G and acoustic band gaps with lower frequency and broader bandwidth.

  16. Band gap engineering in finite elongated graphene nanoribbon heterojunctions: Tight-binding model

    SciTech Connect

    Tayo, Benjamin O.

    2015-08-15

    A simple model based on the divide and conquer rule and tight-binding (TB) approximation is employed for studying the role of finite size effect on the electronic properties of elongated graphene nanoribbon (GNR) heterojunctions. In our model, the GNR heterojunction is divided into three parts: a left (L) part, middle (M) part, and right (R) part. The left part is a GNR of width W{sub L}, the middle part is a GNR of width W{sub M}, and the right part is a GNR of width W{sub R}. We assume that the left and right parts of the GNR heterojunction interact with the middle part only. Under this approximation, the Hamiltonian of the system can be expressed as a block tridiagonal matrix. The matrix elements of the tridiagonal matrix are computed using real space nearest neighbor orthogonal TB approximation. The electronic structure of the GNR heterojunction is analyzed by computing the density of states. We demonstrate that for heterojunctions for which W{sub L} = W{sub R}, the band gap of the system can be tuned continuously by varying the length of the middle part, thus providing a new approach to band gap engineering in GNRs. Our TB results were compared with calculations employing divide and conquer rule in combination with density functional theory (DFT) and were found to agree nicely.

  17. Measurements of band gap structure in diamond compressed to 370 GPa

    NASA Astrophysics Data System (ADS)

    Gamboa, Eliseo; Fletcher, Luke; Lee, Hae-Ja; Zastrau, Ulf; Gauthier, Maxence; Gericke, Dirk; Vorberger, Jan; Granados, Eduardo; Heimann, Phillip; Hastings, Jerome; Glenzer, Siegfried

    2015-06-01

    We present the first measurements of the electronic structure of dynamically compressed diamond demonstrating a widening of the band gap to pressures of up to 370 +/- 25 GPa. The 8 keV free electron laser x-ray beam from the Linac Coherently Light Source (LCLS) has been focussed onto a diamond foil compressed by two counter-propagating laser pulses to densities of up to 5.3 g/cm3 and temperatures of up to 3000 +/- 400 K. The x-ray pulse excites a collective interband transition of the valence electrons, leading to a plasmon-like loss. We find good agreement with the observed plasmon shift by including the pressure dependence of the band gap as determined from density functional theory simulations. This work was performed at the Matter at Extreme Conditions (MEC) instrument of LCLS, supported by the DOE Office of Science, Fusion Energy Science under Contract No. SF00515. This work was supported by DOE Office of Science, Fusion Energy Science under F.

  18. Numerical investigation of band gaps in 3D printed cantilever-in-mass metamaterials

    NASA Astrophysics Data System (ADS)

    Qureshi, Awais; Li, Bing; Tan, K. T.

    2016-06-01

    In this research, the negative effective mass behavior of elastic/mechanical metamaterials is exhibited by a cantilever-in-mass structure as a proposed design for creating frequency stopping band gaps, based on local resonance of the internal structure. The mass-in-mass unit cell model is transformed into a cantilever-in-mass model using the Bernoulli-Euler beam theory. An analytical model of the cantilever-in-mass structure is derived and the effects of geometrical dimensions and material parameters to create frequency band gaps are examined. A two-dimensional finite element model is created to validate the analytical results, and excellent agreement is achieved. The analytical model establishes an easily tunable metamaterial design to realize wave attenuation based on locally resonant frequency. To demonstrate feasibility for 3D printing, the analytical model is employed to design and fabricate 3D printable mechanical metamaterial. A three-dimensional numerical experiment is performed using COMSOL Multiphysics to validate the wave attenuation performance. Results show that the cantilever-in-mass metamaterial is capable of mitigating stress waves at the desired resonance frequency. Our study successfully presents the use of one constituent material to create a 3D printed cantilever-in-mass metamaterial with negative effective mass density for stress wave mitigation purposes.

  19. Band gap and refractive index tunability in thallium based layered mixed crystals

    SciTech Connect

    Gasanly, N. M.

    2015-07-21

    Compositional variation of the band gap energy and refractive index of TlMeX{sub 2}-type (Me = Ga or In and X = S or Se) layered mixed crystals have been studied by the transmission and reflection measurements in the wavelength range of 400–1100 nm. The analysis of absorption data of TlGa{sub 1-x}In{sub x}Se{sub 2}, TlGa(S{sub 1−x}Se{sub x}){sub 2}, TlGa{sub 1−x}In{sub x}S{sub 2}, and TlIn(Se{sub 1−x}S{sub x}){sub 2} mixed crystals revealed the presence of both optical indirect and direct transitions. It was found that the energy band gaps of mixed crystals decrease at the replacing of gallium atoms by indium and of sulfur atoms by selenium ones. Through the similar replacing of atoms (smaller atoms by larger ones) in the studied mixed crystals, the refractive index shows the quite opposite behavior.

  20. Isotropic band gaps and freeform waveguides observed in hyperuniform disordered photonic solids

    PubMed Central

    Man, Weining; Florescu, Marian; Williamson, Eric Paul; He, Yingquan; Hashemizad, Seyed Reza; Leung, Brian Y. C.; Liner, Devin Robert; Torquato, Salvatore; Chaikin, Paul M.; Steinhardt, Paul J.

    2013-01-01

    Recently, disordered photonic media and random textured surfaces have attracted increasing attention as strong light diffusers with broadband and wide-angle properties. We report the experimental realization of an isotropic complete photonic band gap (PBG) in a 2D disordered dielectric structure. This structure is designed by a constrained optimization method, which combines advantages of both isotropy due to disorder and controlled scattering properties due to low-density fluctuations (hyperuniformity) and uniform local topology. Our experiments use a modular design composed of Al2O3 walls and cylinders arranged in a hyperuniform disordered network. We observe a complete PBG in the microwave region, in good agreement with theoretical simulations, and show that the intrinsic isotropy of this unique class of PBG materials enables remarkable design freedom, including the realization of waveguides with arbitrary bending angles impossible in photonic crystals. This experimental verification of a complete PBG and realization of functional defects in this unique class of materials demonstrate their potential as building blocks for precise manipulation of photons in planar optical microcircuits and has implications for disordered acoustic and electronic band gap materials. PMID:24043795

  1. Correlation between the band gap expansion and melting temperature depression of nanostructured semiconductors

    SciTech Connect

    Li, Jianwei Zhao, Xinsheng; Liu, Xinjuan; Zheng, Xuejun; Yang, Xuexian; Zhu, Zhe

    2015-09-28

    The band gap and melting temperature of a semiconductor are tunable with the size and shape of the specimen at the nanometer scale, and related mechanisms remain as yet unclear. In order to understand the common origin of the size and shape effect on these two seemingly irrelevant properties, we clarify, correlate, formulate, and quantify these two properties of GaAs, GaN, InP, and InN nanocrystals from the perspectives of bond order-length-strength correlation using the core-shell configuration. The consistency in the theoretical predictions, experimental observations, and numerical calculations verify that the broken-bond-induced local bond contraction and strength gain dictates the band gap expansion, while the atomic cohesive energy loss due to bond number reduction depresses the melting point. The fraction of the under-coordinated atoms in the skin shell quantitatively determines the shape and size dependency. The atomic under-coordination in the skin down to a depth of two atomic layers inducing a change in the local chemical bond is the common physical origin.

  2. Growth of semiconducting single-wall carbon nanotubes with a narrow band-gap distribution

    PubMed Central

    Zhang, Feng; Hou, Peng-Xiang; Liu, Chang; Wang, Bing-Wei; Jiang, Hua; Chen, Mao-Lin; Sun, Dong-Ming; Li, Jin-Cheng; Cong, Hong-Tao; Kauppinen, Esko I.; Cheng, Hui-Ming

    2016-01-01

    The growth of high-quality semiconducting single-wall carbon nanotubes with a narrow band-gap distribution is crucial for the fabrication of high-performance electronic devices. However, the single-wall carbon nanotubes grown from traditional metal catalysts usually have diversified structures and properties. Here we design and prepare an acorn-like, partially carbon-coated cobalt nanoparticle catalyst with a uniform size and structure by the thermal reduction of a [Co(CN)6]3− precursor adsorbed on a self-assembled block copolymer nanodomain. The inner cobalt nanoparticle functions as active catalytic phase for carbon nanotube growth, whereas the outer carbon layer prevents the aggregation of cobalt nanoparticles and ensures a perpendicular growth mode. The grown single-wall carbon nanotubes have a very narrow diameter distribution centred at 1.7 nm and a high semiconducting content of >95%. These semiconducting single-wall carbon nanotubes have a very small band-gap difference of ∼0.08 eV and show excellent thin-film transistor performance. PMID:27025784

  3. Numerical investigation of band gaps in 3D printed cantilever-in-mass metamaterials

    PubMed Central

    Qureshi, Awais; Li, Bing; Tan, K. T.

    2016-01-01

    In this research, the negative effective mass behavior of elastic/mechanical metamaterials is exhibited by a cantilever-in-mass structure as a proposed design for creating frequency stopping band gaps, based on local resonance of the internal structure. The mass-in-mass unit cell model is transformed into a cantilever-in-mass model using the Bernoulli-Euler beam theory. An analytical model of the cantilever-in-mass structure is derived and the effects of geometrical dimensions and material parameters to create frequency band gaps are examined. A two-dimensional finite element model is created to validate the analytical results, and excellent agreement is achieved. The analytical model establishes an easily tunable metamaterial design to realize wave attenuation based on locally resonant frequency. To demonstrate feasibility for 3D printing, the analytical model is employed to design and fabricate 3D printable mechanical metamaterial. A three-dimensional numerical experiment is performed using COMSOL Multiphysics to validate the wave attenuation performance. Results show that the cantilever-in-mass metamaterial is capable of mitigating stress waves at the desired resonance frequency. Our study successfully presents the use of one constituent material to create a 3D printed cantilever-in-mass metamaterial with negative effective mass density for stress wave mitigation purposes. PMID:27329828

  4. Esaki Diodes in van der Waals Heterojunctions with Broken-Gap Energy Band Alignment.

    PubMed

    Yan, Rusen; Fathipour, Sara; Han, Yimo; Song, Bo; Xiao, Shudong; Li, Mingda; Ma, Nan; Protasenko, Vladimir; Muller, David A; Jena, Debdeep; Xing, Huili Grace

    2015-09-09

    van der Waals (vdW) heterojunctions composed of two-dimensional (2D) layered materials are emerging as a solid-state materials family that exhibits novel physics phenomena that can power a range of electronic and photonic applications. Here, we present the first demonstration of an important building block in vdW solids: room temperature Esaki tunnel diodes. The Esaki diodes were realized in vdW heterostructures made of black phosphorus (BP) and tin diselenide (SnSe2), two layered semiconductors that possess a broken-gap energy band offset. The presence of a thin insulating barrier between BP and SnSe2 enabled the observation of a prominent negative differential resistance (NDR) region in the forward-bias current-voltage characteristics, with a peak to valley ratio of 1.8 at 300 K and 2.8 at 80 K. A weak temperature dependence of the NDR indicates electron tunneling being the dominant transport mechanism, and a theoretical model shows excellent agreement with the experimental results. Furthermore, the broken-gap band alignment is confirmed by the junction photoresponse, and the phosphorus double planes in a single layer of BP are resolved in transmission electron microscopy (TEM) for the first time. Our results represent a significant advance in the fundamental understanding of vdW heterojunctions and broaden the potential applications of 2D layered materials.

  5. Correlation between surface chemistry, density and band gap in nanocrystalline WO3 thin films

    SciTech Connect

    Vemuri, Venkata Rama Ses; Engelhard, Mark H.; Ramana, C.V.

    2012-03-01

    Nanocrystalline WO3 thin films were produced by sputter-deposition by varying the ratio of argon to oxygen in the reactive gas mixture during deposition. The surface chemistry, physical characteristics, and optical properties of nanocrystalline WO3 films were evaluated using X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray reflectivity (XRR), and spectrophotometric measurements. The effect of ultra-microstructure was significant on the optical properties of WO3 films. The XPS analyses indicate the formation of stoichiometric WO3 with tungsten existing in fully oxidized valence state (W6+). However, WO3 films grown at high oxygen concentration (>60%) in the sputtering gas mixture were over stoichiometric with excess oxygen. XRR simulations, which are based on isotropic WO3 film - SiO2 interface - Si substrate model, indicate that the density of WO3 films is sensitive to the oxygen content in the sputtering gas. The spectral transmission of the films increased with the increasing oxygen. The band gap of these films increases from 2.78 eV to 3.25 eV with increasing oxygen. A direct correlation between the film-density and band gap in nanocrystalline WO3 films is established based on the observed results.

  6. Periodic dielectric structure for production of photonic band gap and devices incorporating the same

    DOEpatents

    Ho, Kai-Ming; Chan, Che-Ting; Soukoulis, Costas

    1994-08-02

    A periodic dielectric structure which is capable of producing a photonic band gap and which is capable of practical construction. The periodic structure is formed of a plurality of layers, each layer being formed of a plurality of rods separated by a given spacing. The material of the rods contrasts with the material between the rods to have a refractive index contrast of at least two. The rods in each layer are arranged with their axes parallel and at a given spacing. Adjacent layers are rotated by 90.degree., such that the axes of the rods in any given layer are perpendicular to the axes in its neighbor. Alternating layers (that is, successive layers of rods having their axes parallel such as the first and third layers) are offset such that the rods of one are about at the midpoint between the rods of the other. A four-layer periocity is thus produced, and successive layers are stacked to form a three-dimensional structure which exhibits a photonic band gap. By virtue of forming the device in layers of elongate members, it is found that the device is susceptible of practical construction.

  7. Silicon-based chalcogenide: Unexpected quantum spin Hall insulator with sizable band gap

    NASA Astrophysics Data System (ADS)

    Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao; Li, Ping; Wang, Pei-ji; Li, Sheng-shi; Yan, Shi-shen

    2016-10-01

    Searching for two-dimensional (2D) silicon-based topological materials is imperative for the development of various innovative devices. Here, by using first-principles calculations, we discover the silicon-based chalcogenide Si2Te2 film to be a 2D quantum spin Hall (QSH) insulator with a fundamental band gap of 0.34 eV, which can be tunable under external strain. This nontrivial topological phase stems from band inversion between the Si-px,y and Te-px,y orbitals, demonstrated by a single pair of topologically protected helical edge states with Dirac point located in the bulk gap. Notably, the characteristic properties of edge states, such as the Fermi velocity and edge shape, can be engineered by edge modifications. Additionally, the BN sheet is an ideal substrate for the experimental realization of Si2Te2 films, without destroying its nontrivial topology. Our works open a meaningful route for designing topological spintronics devices based on 2D silicon-based films.

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

    NASA Astrophysics Data System (ADS)

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

    2007-10-01

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

  9. Accurate prediction of band gaps and optical properties of HfO2

    NASA Astrophysics Data System (ADS)

    Ondračka, Pavel; Holec, David; Nečas, David; Zajíčková, Lenka

    2016-10-01

    We report on optical properties of various polymorphs of hafnia predicted within the framework of density functional theory. The full potential linearised augmented plane wave method was employed together with the Tran-Blaha modified Becke-Johnson potential (TB-mBJ) for exchange and local density approximation for correlation. Unit cells of monoclinic, cubic and tetragonal crystalline, and a simulated annealing-based model of amorphous hafnia were fully relaxed with respect to internal positions and lattice parameters. Electronic structures and band gaps for monoclinic, cubic, tetragonal and amorphous hafnia were calculated using three different TB-mBJ parametrisations and the results were critically compared with the available experimental and theoretical reports. Conceptual differences between a straightforward comparison of experimental measurements to a calculated band gap on the one hand and to a whole electronic structure (density of electronic states) on the other hand, were pointed out, suggesting the latter should be used whenever possible. Finally, dielectric functions were calculated at two levels, using the random phase approximation without local field effects and with a more accurate Bethe-Salpether equation (BSE) to account for excitonic effects. We conclude that a satisfactory agreement with experimental data for HfO2 was obtained only in the latter case.

  10. Optical band gap and spectroscopic study of lithium alumino silicate glass containing Y3+ ions.

    PubMed

    Shakeri, M S; Rezvani, M

    2011-09-01

    The effect of different amounts of Y2O3 dopant on lithium alumino silicate (LAS) glass has been studied in this work. Glasses having 14.8Li2O-20Al2O3-65.2SiO2 (wt%) composition accompanied with Y2O3 dopant were prepared by normal melting process. In order to calculate the absorption coefficient of samples, transmittance and reflectance spectra of polished samples were measured in the room temperature. Optical properties i.e. Fermi energy level, direct and indirect optical band gaps and Urbach energy were calculated using functionality of extinction coefficient from Fermi-Dirac distribution function, Tauc's plot and the exponential part of absorption coefficient diagram, respectively. It has been clarified that variation in mentioned optical parameters is associated with the changes in physical properties of samples i.e. density or molar mass. On the other hand, increasing of Y3+ ions in the glassy microstructure of samples provides a semiconducting character to LAS glass by reducing the direct and indirect optical band gaps of glass samples from 1.97 to 1.67 and 3.46 to 2.1 (eV), respectively. These changes could be attributed to the role of Y3+ ions as the network former in the track of SiO4 tetrahedrals.

  11. Isotropic band gaps and freeform waveguides observed in hyperuniform disordered photonic solids.

    PubMed

    Man, Weining; Florescu, Marian; Williamson, Eric Paul; He, Yingquan; Hashemizad, Seyed Reza; Leung, Brian Y C; Liner, Devin Robert; Torquato, Salvatore; Chaikin, Paul M; Steinhardt, Paul J

    2013-10-01

    Recently, disordered photonic media and random textured surfaces have attracted increasing attention as strong light diffusers with broadband and wide-angle properties. We report the experimental realization of an isotropic complete photonic band gap (PBG) in a 2D disordered dielectric structure. This structure is designed by a constrained optimization method, which combines advantages of both isotropy due to disorder and controlled scattering properties due to low-density fluctuations (hyperuniformity) and uniform local topology. Our experiments use a modular design composed of Al2O3 walls and cylinders arranged in a hyperuniform disordered network. We observe a complete PBG in the microwave region, in good agreement with theoretical simulations, and show that the intrinsic isotropy of this unique class of PBG materials enables remarkable design freedom, including the realization of waveguides with arbitrary bending angles impossible in photonic crystals. This experimental verification of a complete PBG and realization of functional defects in this unique class of materials demonstrate their potential as building blocks for precise manipulation of photons in planar optical microcircuits and has implications for disordered acoustic and electronic band gap materials.

  12. Band gap reduction in InNxSb1-x alloys: Optical absorption, k . P modeling, and density functional theory

    NASA Astrophysics Data System (ADS)

    Linhart, W. M.; Rajpalke, M. K.; Buckeridge, J.; Murgatroyd, P. A. E.; Bomphrey, J. J.; Alaria, J.; Catlow, C. R. A.; Scanlon, D. O.; Ashwin, M. J.; Veal, T. D.

    2016-09-01

    Using infrared absorption, the room temperature band gap of InSb is found to reduce from 174 (7.1 μm) to 85 meV (14.6 μm) upon incorporation of up to 1.13% N, a reduction of ˜79 meV/%N. The experimentally observed band gap reduction in molecular-beam epitaxial InNSb thin films is reproduced by a five band k . P band anticrossing model incorporating a nitrogen level, EN, 0.75 eV above the valence band maximum of the host InSb and an interaction coupling matrix element between the host conduction band and the N level of β = 1.80 eV. This observation is consistent with the presented results from hybrid density functional theory.

  13. Significant band-gap opening in graphene and Pd-doped graphene via the adsorption of ionized methane

    NASA Astrophysics Data System (ADS)

    Wang, Su-Fang; Chen, Li-Yong; Zhang, Jian-Min

    2017-04-01

    First-principles calculations are performed to study the adsorptions of ionized methane (i.e., CHn+ (n = 3,4) fragments) on pristine graphene (G-CHn+) and Pd-doped graphene (G/Pd-CHn+). Remarkably, CH3+ adsorption induces significant band-gap for both systems, while it is absent in the cases of both CH4+ and CH3 adsorptions. The charge-induced gaps are found to be about 665 meV and 401 meV for G-CH3+ and G/Pd-CH3+ systems, respectively. Promisingly, the Pd-doped graphene with CH3+ adsorption not only achieves a significant band-gap at Dirac point, but also retains nearly linear dispersion near the Fermi level. Both hole effect and localized electron hybridization mediate the band-gap opening. Within DFT + U scheme, coulomb-correction dependences of band-gap, Fermi velocity and effective mass of carriers are handled for the Pd-doped graphene with CH3+ adsorption. These results may be interesting for exploring the applications of graphene in band-gap engineering and gaseous ionization detectors.

  14. Tunable Lamb wave band gaps in two-dimensional magnetoelastic phononic crystal slabs by an applied external magnetostatic field.

    PubMed

    Zhou, Changjiang; Sai, Yi; Chen, Jiujiu

    2016-09-01

    This paper theoretically investigates the band gaps of Lamb mode waves in two-dimensional magnetoelastic phononic crystal slabs by an applied external magnetostatic field. With the assumption of uniformly oriented magnetization, an equivalent piezomagnetic material model is used. The effects of magnetostatic field on phononic crystals are considered carefully in this model. The numerical results indicate that the width of the first band gap is significantly changed by applying the external magnetic field with different amplitude, and the ratio between the maximum and minimum gap widths reaches 228%. Further calculations demonstrate that the orientation of the magnetic field obviously affects the width and location of the first band gap. The contactless tunability of the proposed phononic crystal slabs shows many potential applications of vibration isolation in engineering.

  15. Theoretical study of time-resolved luminescence in semiconductors. III. Trap states in the band gap

    SciTech Connect

    Maiberg, Matthias Hölscher, Torsten; Zahedi-Azad, Setareh; Scheer, Roland

    2015-09-14

    In the third part of this series, we study the influence of trap states in the band gap of semiconductors on the time-resolved luminescence decay (TRL) after a pulsed excitation. The results based on simulations with Synopsys TCAD{sup ®} and analytical approximations are given for p-doped Cu(In,Ga)Se{sub 2} as a working example. We show that a single trap can be mostly described by two parameters which are assigned to minority carrier capture and emission. We analyze their influence on the luminescence decay and study the difference between a single trap and an energetic Gaussian trap distribution. It is found that trap states artificially increase the TRL decay and obscure the recombination dynamics. Thus, there is a demand for experimental methods which can reveal the recombination of minority carriers in a TRL experiment without trapping effect. In this regard, a variation of the device temperature, the excitation frequency, the injection level, as well as a bias illumination may be promising approaches. We study these methods, discuss advantages and disadvantages, and show experimental TRL for prove of concept. At the end, we validate our approach of simulating only band-to-band radiative recombination although photoluminescence spectra often exhibit free-to-bound radiative recombination of charge carriers.

  16. Experimental indication for band gap widening of chalcopyrite solar cell absorbers after potassium fluoride treatment

    SciTech Connect

    Pistor, P.; Greiner, D.; Kaufmann, C. A.; Brunken, S.; Gorgoi, M.; Steigert, A.; Calvet, W.; Lauermann, I.; Klenk, R.; Unold, T.; Lux-Steiner, M.-C.

    2014-08-11

    The implementation of potassium fluoride treatments as a doping and surface modification procedure in chalcopyrite absorber preparation has recently gained much interest since it led to new record efficiencies for this kind of solar cells. In the present work, Cu(In,Ga)Se{sub 2} absorbers have been evaporated on alkali containing Mo/soda-lime glass substrates. We report on compositional and electronic changes of the Cu(In,Ga)Se{sub 2} absorber surface as a result of a post deposition treatment with KF (KF PDT). In particular, by comparing standard X-ray photoelectron spectroscopy and synchrotron-based hard X-ray photoelectron spectroscopy (HAXPES), we are able to confirm a strong Cu depletion in the absorbers after the KF PDT which is limited to the very near surface region. As a result of the Cu depletion, we find a change of the valence band structure and a shift of the valence band onset by approximately 0.4 eV to lower binding energies which is tentatively explained by a band gap widening as expected for Cu deficient compounds. The KF PDT increased the open circuit voltage by 60–70 mV compared to the untreated absorbers, while the fill factor deteriorated.

  17. Photonic band gap structure for a ferroelectric photonic crystal at microwave frequencies.

    PubMed

    King, Tzu-Chyang; Chen, De-Xin; Lin, Wei-Cheng; Wu, Chien-Jang

    2015-10-10

    In this work, the photonic band gap (PBG) structure in a one-dimensional ferroelectric photonic crystal (PC) is theoretically investigated. We consider a PC, air/(AB)N/air, in which layer A is a dielectric of MgO and layer B is taken to be a ferroelectric of Ba0.55Sr0.45TiO3 (BSTO). With an extremely high value in the dielectric constant in BSTO, the calculated photonic band structure at microwave frequencies exhibits some interesting features that are significantly different from those in a usual dielectric-dielectric PC. First, the photonic transmission band consists of multiple and nearly discrete transmission peaks. Second, the calculated bandwidth of the PBG is nearly unchanged as the angle of incidence varies in the TE wave. The bandwidth will slightly reduce for the TM mode. Thus, a wide omnidirectional PBG can be obtained. Additionally, the effect of the thickness of the ferroelectric layer on the PBG is much more pronounced compared to the dielectric layer thickness. That is, the increase of ferroelectric thickness can significantly decrease the PBG bandwidth.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

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

    DOE PAGES

    Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; ...

    2015-04-16

    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 CuGaO2 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-CuGaO2 phase. Our calculations show that the β-CuGaO2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point of Brillouin zone. Inmore » conclusion, 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.« less

  20. Complete band gaps in a polyvinyl chloride (PVC) phononic plate with cross-like holes: numerical design and experimental verification.

    PubMed

    Miniaci, Marco; Marzani, Alessandro; Testoni, Nicola; De Marchi, Luca

    2015-02-01

    In this work the existence of band gaps in a phononic polyvinyl chloride (PVC) plate with a square lattice of cross-like holes is numerically and experimentally investigated. First, a parametric analysis is carried out to find plate thickness and cross-like holes dimensions capable to nucleate complete band gaps. In this analysis the band structures of the unitary cell in the first Brillouin zone are computed by exploiting the Bloch-Floquet theorem. Next, time transient finite element analyses are performed to highlight the shielding effect of a finite dimension phononic region, formed by unitary cells arranged into four concentric square rings, on the propagation of guided waves. Finally, ultrasonic experimental tests in pitch-catch configuration across the phononic region, machined on a PVC plate, are executed and analyzed. Very good agreement between numerical and experimental results are found confirming the existence of the predicted band gaps.

  1. Band-unfolding approach to moiré-induced band-gap opening and Fermi level velocity reduction in twisted bilayer graphene

    NASA Astrophysics Data System (ADS)

    Nishi, Hirofumi; Matsushita, Yu-ichiro; Oshiyama, Atsushi

    2017-02-01

    We report on the energy spectrum of electrons in twisted bilayer graphene (tBLG) obtained by the band-unfolding method in the tight-binding model. We find the band-gap opening at particular points in the reciprocal space, that elucidates the drastic reduction of the Fermi-level velocity with the tiny twisted angles in tBLGs. We find that moiré pattern caused by the twist of the two graphene layers generates interactions among Dirac cones, otherwise absent, and the resultant cone-cone interactions peculiar to each point in the reciprocal space causes the energy gap and thus reduces the Fermi-level velocity.

  2. The effect of heteroatomic substitutions on the band gap of polyacetylene and polyparaphenylene derivatives

    NASA Astrophysics Data System (ADS)

    Lee, Yong-Sok; Kertesz, Milkos

    1988-02-01

    The electronic structures of polyparaphenylene (PPP), polyacetylene (PA), and their derivatives with small energy gaps have been studied by the Hückel and MNDO crystal orbital methods. The effect of nuclear relaxation and heteroatomic substitution on the energy gaps (Eg) have been taken into account by compelete geometry optimization using periodic boundary conditions as opposed to earlier cluster based calculations. Calculations were done on the following polyacetylene derivatives: polypyrrole (PPy), polythiophene (PT), polyisothianaphthene (PITN), poly (5,5'-bithiophene methenyl) (PBTM, 11, X=S, R=H, m1=m2=1), and poly (5,5'-bipyrrole methenyl) (PBPM, 11, X=NH, R=H, m1=m2=1). Energetics and band gaps for the two isomeric forms, the quinoid and aromatic structures of PPy and PT, are discussed and critically compared with previous calculations. Perturbational molecular orbital theory is invoked to explain the narrower Eg for PITN, PBTM, and PBPM, relative to that of PA. Calculations for PPP derivatives {m-polybenzo[b]thiophene (PBT,5b), polybenzo[b,f]thieno[3,4-c]thiophene (PBTT, 5a, X=S), and polybenzo[b,f]pyrrolo[3,4-c]pyrrole (PBPP, 5a, X=NH)} show that the Eg of some of these polymers is substantially smaller than that of PPP. Comments on ways to stabilize structures with desired small energy gaps are made. A correlation of the Eg with heteroatom perturbation and geometrical relaxation is given. It is found that Eg is controlled not by aromatic vs quinoid contributions, but by the geometrical and heteroatomic effects on the frontier orbitals of the polymer.

  3. Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu3N

    NASA Astrophysics Data System (ADS)

    Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.; Thompson, Paul; Muryn, Christopher A.; Weerakkody, A. D.; Mitrovic, I. Z.; Hall, S.; Treharne, Rob; Dhanak, Vin R.; Scanlon, David O.; Zakutayev, Andriy; Veal, Tim D.

    2017-03-01

    The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO3 semiconductor Cu3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300 K . A direct gap of 1.68 eV is associated with the absorption onset at 300 K , which strengthens continuously and reaches a magnitude of 3.5 ×105cm-1 at 2.7 eV , suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24 meV between 4.2 and 300 K , giving an atypically small band-gap temperature coefficient d Eg/d T of -0.082 meV /K . Additionally, the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50 K . To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10-6K-1 below 80 K ), while estimating the Debye temperature, lattice heat capacity, and Grüneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. As band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.

  4. Absolute measurements of the electronic transition moments of seven band systems of the C2 molecule. Ph.D. Thesis - York Univ., Toronto

    NASA Technical Reports Server (NTRS)

    Cooper, D. M.

    1979-01-01

    Electronic transition moments of seven C2 singlet and triplet band systems in the 0.2-1.2 micron spectral region were measured. The measurements were made in emission behind incident shock waves in C2H2-argon mixtures. Narrow bandpass radiometers were used to obtain absolute measurements of shock-excited C2 radiation from which absolute electronic transition moments are derived by a synthetic spectrum analysis. New results are reported for the Ballik-Ramsay, Phillips, Swan, Deslandres-d'Azambuja, Fox-Herzberg, Mulliken, and Freymark systems.

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

    SciTech Connect

    Sutherland, Kevin Jerome

    2001-06-27

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

  6. Estimation of band gap of muscovite mineral using thermoluminescence (TL) analysis

    NASA Astrophysics Data System (ADS)

    Kalita, J. M.; Wary, G.

    2016-03-01

    In this article thermoluminescence (TL) mechanism in muscovite mineral has been reported in detail. The trap spectroscopy of the mineral has been studied from the TL glow curve of X-ray irradiated sample. A stable TL peak has been observed at around 347 K in the glow curve, however after annealing the sample above 573 K an additional peak is observed at around 408 K. In the TL emission spectra an emission peak has been observed at around 447 nm at TL peak maximum temperatures. The glow curves are analyzed by Tm-Tstop analysis, peak shape method and fractional glow technique. Analyses showed that there is a trap center and a radiative recombination center at depth around 0.71 and 2.78 eV from the conduction band. These two localized centers do not affected by annealing up to 773 K. However, annealing at 573 K (or above) a new electron trap center was found to generate at depth around 1.23 eV. This significant result has been confirmed with the help of phototransfer phenomena observed under UV irradiation. Due to UV irradiation on the excited sample, the transfer of trapped charges from the deeper trap level (1.23 eV) to the shallow level (0.71 eV) has been observed. Based on the analysis a schematic band diagram of muscovite crystal has been proposed. With the help of the band model, radiative as well as non-radiative recombination mechanisms have been discussed. The band gap of the material has been estimated to be around 5.09 eV and verified.

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

    SciTech Connect

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

    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.

  8. Strongly nonparabolic variation of the band gap in In x Al1-x N with low indium content

    NASA Astrophysics Data System (ADS)

    Zubialevich, Vitaly Z.; Dinh, Duc V.; Alam, Shahab N.; Schulz, Stefan; O'Reilly, Eoin P.; Parbrook, Peter J.

    2016-02-01

    80-120 nm thick In x Al1-x N epitaxial layers with 0 < x < 0.224 were grown by metalorganic vapour phase epitaxy on AlN/Al2O3-templates. The composition was varied through control of the growth temperature. The composition dependence of the band gap was estimated from the photoluminescence excitation absorption edge for 0 < x < 0.11 as the material with higher In content showed no luminescence under low excitation. A very rapid decrease in band gap was observed in this range, dropping down below 5.2 eV at x = 0.05, confirming previous theoretical work that used a band-anticrossing model to describe the strongly x-dependent bowing parameter, which in this case exceeds 25 eV in the x → 0 limit. A double absorption edge observed for InAlN with x < 0.01 was attributed to crystal-field splitting of the highest valence band states. Our results indicate also that the ordering of the valence bands is changed at much lower In contents than one would expect from linear interpolation of the valence band parameters. These findings on band gap bowing and valence band ordering are of direct relevance for the design of InAlN-containing optoelectronic devices.

  9. Spectroscopic and sub optical band gap properties of e-beam irradiated ultra-high molecular weight polyethylene

    NASA Astrophysics Data System (ADS)

    Khan, Hamna; Gahfoor, Bilal; Mehmood, Malik Sajjad; Ahmad, Manzoor; Yasin, Tariq; Ikram, Masroor

    2015-12-01

    Muller matrix spectro-polarimeter has been used to study the absorption behavior of pristine and e-beam irradiated (30, 65,100 kGy) ultra-high molecular weight polyethylene (UHMWPE) over the visible spectral range i.e. 400-800 nm. As a result, significant changes occur in the absorption behavior of irradiated samples due to radiation induced physical and chemical changes. To analyze these (radiation induced) changes in polymer matrix, Urbach edge method is employed for the calculation of optical activation energy. In addition to this, direct and indirect energy band gaps along the number of carbon atoms in C=C unsaturation have been determined by using modified Urbach formula and Tauc's equation, respectively. The results obtained during study reveal that Urbach energy decreases with radiation treatment and has a lower value for 100 kGy sample i.e. Eu=71.63 meV. The values of direct and indirect energy band gaps are also following the decreasing trend with e-beam irradiation. Moreover, indirect energy gaps are found to have lower values as compared to direct energy gaps. The number of carbon atoms in clusters (as estimated from modified Tauc's equation) has been found to vary from ∼6 to 8 for direct energy band gaps and from ∼9 to 11 for indirect energy band gaps.

  10. Photonic band gaps of wurtzite GaN and AlN photonic crystals at short wavelengths

    NASA Astrophysics Data System (ADS)

    Melo, E. G.; Alayo, M. I.

    2015-04-01

    Group III-nitride materials such as GaN and AlN have attracted a great attention in researches on photonic devices that operate at short light wavelengths. The large band gaps of these materials turn them suitable for nanophotonic devices that operate in light ranges from visible to deep ultraviolet. The physical properties of wurtzite GaN and AlN such as their second and third order nonlinear susceptibilities, and their thermal and piezoelectric coefficients, also make them excellent candidates for integrate photonic devices with electronics, microelectromechanics, microfluidics and general sensing applications. Using a plane wave expansion method (PWE) the photonic band gap maps of 36 different two-dimensional photonic crystal lattices in wurtzite GaN and AlN were obtained and analyzed. The wavelength dependence and the effects of the material anisotropy on the position of the photonic band gaps are also discussed. The results show regions with slow group velocity at the edges of a complete photonic band gap in the M-K direction of the triangular lattices with circular, hexagonal, and rhombic air holes. Was also found a very interesting disposition of the photonic band gaps in the lattices composed of rhombic air holes.

  11. Fluorine Substituted Conjugated Polymer of Medium Band Gap Yields 7% Efficiency in Polymer-Fullerene Solar Cells

    SciTech Connect

    Price, Samuel C.; Stuart, Andrew C.; Yang, Liqiang; Zhou, Huaxing; You, Wei

    2011-03-04

    Recent research advances on conjugated polymers for photovoltaic devices have focused on creating low band gap materials, but a suitable band gap is only one of many performance criteria required for a successful conjugated polymer. This work focuses on the design of two medium band gap (~2.0 eV) copolymers for use in photovoltaic cells which are designed to possess a high hole mobility and low highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels. The resulting fluorinated polymer PBnDT-FTAZ exhibits efficiencies above 7% when blended with [6,6]-phenyl C61-butyric acid methyl ester in a typical bulk heterojunction, and efficiencies above 6% are still maintained at an active layer thicknesses of 1 μm. PBnDT-FTAZ outperforms poly(3-hexylthiophene), the current medium band gap polymer of choice, and thus is a viable candidate for use in highly efficient tandem cells. PBnDT-FTAZ also highlights other performance criteria which contribute to high photovoltaic efficiency, besides a low band gap.

  12. Fluorine Substituted Conjugated Polymer of Medium Band Gap Yields 7% Efficiency in Polymer-Fullerene Solar Cells

    SciTech Connect

    Price, Samuel C.; Stuart, Andrew C.; Yang, Liqiang; Zhou, Huaxing; You, Wei

    2011-03-30

    Recent research advances on conjugated polymers for photovoltaic devices have focused on creating low band gap materials, but a suitable band gap is only one of many performance criteria required for a successful conjugated polymer. This work focuses on the design of two medium band gap (~2.0 eV) copolymers for use in photovoltaic cells which are designed to possess a high hole mobility and low highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels. The resulting fluorinated polymer PBnDT-FTAZ exhibits efficiencies above 7% when blended with [6,6]-phenyl C{sub 61}-butyric acid methyl ester in a typical bulk heterojunction, and efficiencies above 6% are still maintained at an active layer thicknesses of 1 μm. PBnDT-FTAZ outperforms poly(3-hexylthiophene), the current medium band gap polymer of choice, and thus is a viable candidate for use in highly efficient tandem cells. PBnDT-FTAZ also highlights other performance criteria which contribute to high photovoltaic efficiency, besides a low band gap.

  13. Fluorine substituted conjugated polymer of medium band gap yields 7% efficiency in polymer-fullerene solar cells.

    PubMed

    Price, Samuel C; Stuart, Andrew C; Yang, Liqiang; Zhou, Huaxing; You, Wei

    2011-03-30

    Recent research advances on conjugated polymers for photovoltaic devices have focused on creating low band gap materials, but a suitable band gap is only one of many performance criteria required for a successful conjugated polymer. This work focuses on the design of two medium band gap (~2.0 eV) copolymers for use in photovoltaic cells which are designed to possess a high hole mobility and low highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels. The resulting fluorinated polymer PBnDT-FTAZ exhibits efficiencies above 7% when blended with [6,6]-phenyl C(61)-butyric acid methyl ester in a typical bulk heterojunction, and efficiencies above 6% are still maintained at an active layer thicknesses of 1 μm. PBnDT-FTAZ outperforms poly(3-hexylthiophene), the current medium band gap polymer of choice, and thus is a viable candidate for use in highly efficient tandem cells. PBnDT-FTAZ also highlights other performance criteria which contribute to high photovoltaic efficiency, besides a low band gap.

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

    NASA Astrophysics Data System (ADS)

    Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Li, Suobin

    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.

  15. Novel hetero-layered materials with tunable direct band gaps by sandwiching different metal disulfides and diselenides.

    PubMed

    Terrones, Humberto; López-Urías, Florentino; Terrones, Mauricio

    2013-01-01

    Although bulk hexagonal phases of layered semiconducting transition metal dichalcogenides (STMD) such as MoS2, WS2, WSe2 and MoSe2 exhibit indirect band gaps, a mono-layer of STMD possesses a direct band gap which could be used in the construction of novel optoelectronic devices, catalysts, sensors and valleytronic components. Unfortunately, the direct band gap only occurs for mono-layered STMD. We have found, using first principles calculations, that by alternating individual layers of different STMD (MoS2, WS2, WSe2 and MoSe2) with particular stackings, it is possible to generate direct band gap bi-layers ranging from 0.79 eV to 1.157 eV. Interestingly, in this direct band gap, electrons and holes are physically separated and localized in different layers. We foresee that the alternation of different STMD would result in the fabrication of materials with unprecedented optical and physico-chemical properties that would need further experimental and theoretical investigations.

  16. Novel hetero-layered materials with tunable direct band gaps by sandwiching different metal disulfides and diselenides

    PubMed Central

    Terrones, Humberto; López-Urías, Florentino; Terrones, Mauricio

    2013-01-01

    Although bulk hexagonal phases of layered semiconducting transition metal dichalcogenides (STMD) such as MoS2, WS2, WSe2 and MoSe2 exhibit indirect band gaps, a mono-layer of STMD possesses a direct band gap which could be used in the construction of novel optoelectronic devices, catalysts, sensors and valleytronic components. Unfortunately, the direct band gap only occurs for mono-layered STMD. We have found, using first principles calculations, that by alternating individual layers of different STMD (MoS2, WS2, WSe2 and MoSe2) with particular stackings, it is possible to generate direct band gap bi-layers ranging from 0.79 eV to 1.157 eV. Interestingly, in this direct band gap, electrons and holes are physically separated and localized in different layers. We foresee that the alternation of different STMD would result in the fabrication of materials with unprecedented optical and physico-chemical properties that would need further experimental and theoretical investigations. PMID:23528957

  17. Band gap-tunable potassium doped graphitic carbon nitride with enhanced mineralization ability.

    PubMed

    Hu, Shaozheng; Li, Fayun; Fan, Zhiping; Wang, Fei; Zhao, Yanfeng; Lv, Zhenbo

    2015-01-21

    Band gap-tunable potassium doped graphitic carbon nitride with enhanced mineralization ability was prepared using dicyandiamide monomer and potassium hydrate as precursors. X-ray diffraction (XRD), N2 adsorption, UV-Vis spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), photoluminescence (PL) and X-ray photoelectron spectroscopy (XPS) were used to characterize the prepared catalysts. The CB and VB potentials of graphitic carbon nitride could be tuned from -1.09 and +1.56 eV to -0.31 and +2.21 eV by controlling the K concentration. Besides, the addition of potassium inhibited the crystal growth of graphitic carbon nitride, enhanced the surface area and increased the separation rate for photogenerated electrons and holes. The visible-light-driven Rhodamine B (RhB) photodegradation and mineralization performances were significantly improved after potassium doping. A possible influence mechanism of the potassium concentration on the photocatalytic performance was proposed.

  18. Ultrafast conductivity in a low-band-gap polyphenylene and fullerene blend studied by terahertz spectroscopy

    NASA Astrophysics Data System (ADS)

    Němec, Hynek; Nienhuys, Han-Kwang; Perzon, Erik; Zhang, Fengling; Inganäs, Olle; Kužel, Petr; Sundström, Villy

    2009-06-01

    Time-resolved terahertz spectroscopy and Monte Carlo simulations of charge-carrier motion are used to investigate photoinduced transient conductivity in a blend of a low-band-gap polyphenylene copolymer and fullerene derivative. The optical excitation pulse generates free holes delocalized on polymer chains. We show that these holes exhibit a very high initial mobility as their initial excess energy facilitates their transport over defects (potential barriers) on polymer chains. The conductivity then drops down rapidly within 1 ps, and we demonstrate that this decrease occurs essentially by two mechanisms. First, the carriers loose their excess energy and they thus become progressively localized between the on-chain potential barriers—this results in a mobility decay with a rate of (180fs)-1 . Second, carriers are trapped at defects (potential wells) with a capture rate of (860fs)-1 . At longer time scales, populations of mobile and trapped holes reach a quasiequilibrium state and further conductivity decrease becomes very slow.

  19. AFM investigation and optical band gap study of chemically deposited PbS thin films

    NASA Astrophysics Data System (ADS)

    Zaman, S.; Mansoor, M.; Abubakar; Asim, M. M.

    2016-08-01

    The interest into deposition of nanocrystalline PbS thin films, the potential of designing and tailoring both the topographical features and the band gap energy (Eg) by controlling growth parameters, has significant technological importance. Nanocrystalline thin films of lead sulfide were grown onto glass substrates by chemical bath deposition (CBD) method. The experiments were carried out by varying deposition temperature. We report on the modification of structural and optical properties as a function of deposition temperature. The morphological changes of the films were analyzed by using SEM and AFM. AFM was also used to calculate average roughness of the films. XRD spectra indicated preferred growth of cubic phase of PbS films in (200) direction with increasing deposition time. Optical properties have been studied by UV-Spectrophotometer. From the diffused reflectance spectra we have calculated the optical Eg shift from 0.649-0.636 eV with increasing deposition time.

  20. Principles and applications of a controllable electromagnetic band gap material to a conformable spherical radome

    NASA Astrophysics Data System (ADS)

    Haché, S.; Burokur, S. N.; de Lustrac, A.; Gadot, F.; Cailleu, P.; Piau, G.-P.

    2009-06-01

    This paper presents the principle of two types of conformable and controllable spherical radome based on Electromagnetic Band Gap (EBG) materials operating at around 10 GHz. The EBG structure is composed of a grid of metallic wires conformed on a hollow spherical object. Two switching control configurations are considered: (1) between an EBG structure made of electrically continuous wires and another one made of discontinuous wires, and (2) between two EBG structures made of discontinuous wires where each has a different period of discontinuities. Both switching configurations are simulated and experimentally characterized on passive prototypes. An excellent agreement is observed between simulations and measurements. The radiation patterns of two types of antennas, a horn antenna and a meteorological antenna, are also measured in the presence of the radome.

  1. Influence of radiative recombination on the minority-carrier transport in direct band-gap semiconductors

    NASA Technical Reports Server (NTRS)

    Von Roos, O.

    1983-01-01

    When a semiconductor sample is irradiated by means of an external source, emitting photons or electrons, excess carriers are produced which distribute themselves throughout the sample. One of the parameters which determine the distribution of the carriers is the surface recombination velocity. The present investigation is concerned with the recombination lifetime tau. The predominant mechanism for recombination in wide band-gap semiconductors is described by the Shockley-Read-Hall (SRH) theory. The transport equations are derived for free carriers and the radiation field. The considered theory is applied to a semiinfinite, one-dimensional semiconductor slab irradiated by light of a given frequency. Some numerical considerations based on n-type GaAs are presented. Attention is given to a determination of the radiation transmitted through the surface of the sample.

  2. Low Band Gap Thiophene-Perylene Diimide Systems with Tunable Charge Transport Properties

    SciTech Connect

    Balaji, Ganapathy; Kale, Tejaswini S.; Keerthi, Ashok; Della Pelle, Andrea M.; Thayumanavan, S.; Vallyaveettil, Surech

    2010-11-30

    Perylenediimide-pentathiophene systems with varied architecture of thiophene units were synthesized. The photophysical, electrochemical, and charge transport behavior of the synthesized compounds were studied. Both molecules showed a low band gap of ~1.4 eV. Surprisingly, the molecule with pentathiophene attached via β-position to the PDI unit upon annealing showed a predominant hole mobility of 1 × 10-4 cm2 V-1 s-1 whereas the compound with branched pentathiophene attached via β-position showed an electron mobility of 9.8 × 10-7 cm2 V-1 s-1. This suggests that charge transport properties can be tuned by simply varying the architecture of pentathiophene units.

  3. Correction of the band gap of Y2O3:Eu3+ phosphor

    NASA Astrophysics Data System (ADS)

    Bakovets, V. V.; Yushina, I. V.; Antonova, O. V.; Pomelova, T. A.

    2016-12-01

    Submicron samples of Y2O3:Eu3+ phosphor with elevated photoluminescence (PL) efficiency and activator concentration of 9 at % obtained by the sol-gel method were investigated by diffuse reflection spectroscopy and PL spectroscopy. It is found that the diffuse reflection spectrum in the vicinity of the fundamental absorption edge (<300 nm) is distorted by the superposition of the PL of Eu3+ ions, as a result of which the calculated value of optical band gap E g of the Y2O3 matrix is overestimated. An algorithm for eliminating the PL influence on the absorption edge is proposed, and the correct E g values are found to be 4.61 ± 0.12 and 4.50 ± 0.12 eV for annealing at 700 and 1300°C, respectively.

  4. Band gap narrowing in zinc oxide-based semiconductor thin films

    SciTech Connect

    Kumar, Jitendra E-mail: akrsri@gmail.com; Kumar Srivastava, Amit E-mail: akrsri@gmail.com

    2014-04-07

    A simple expression is proposed for the band gap narrowing (or shrinkage) in semiconductors using optical absorption measurements of spin coated 1 at. % Ga-doped ZnO (with additional 0–1.5 at. % zinc species) thin films as ΔE{sub BGN} = Bn{sup 1/3} [1 − (n{sub c}/n){sup 1/3}], where B is the fitting parameter, n is carrier concentration, and n{sub c} is the critical density required for shrinkage onset. Its uniqueness lies in not only describing variation of ΔE{sub BGN} correctly but also allowing deduction of n{sub c} automatically for several M-doped ZnO (M: Ga, Al, In, B, Mo) systems. The physical significance of the term [1 − (n{sub c}/n){sup 1/3}] is discussed in terms of carrier separation.

  5. Resonant tunneling diode based on band gap engineered graphene antidot structures

    NASA Astrophysics Data System (ADS)

    Palla, Penchalaiah; Ethiraj, Anita S.; Raina, J. P.

    2016-04-01

    The present work demonstrates the operation and performance of double barrier Graphene Antidot Resonant Tunnel Diode (DBGA-RTD). Non-Equilibrium Green's Function (NEGF) frame work with tight-binding Hamiltonian and 2-D Poisson equations were solved self-consistently for device study. The interesting feature in this device is that it is an all graphene RTD with band gap engineered graphene antidot tunnel barriers. Another interesting new finding is that it shows negative differential resistance (NDR), which involves the resonant tunneling in the graphene quantum well through both the electron and hole bound states. The Graphene Antidot Lattice (GAL) barriers in this device efficiently improved the Peak to Valley Ratio to approximately 20 even at room temperature. A new fitting model is developed for the number of antidots and their corresponding effective barrier width, which will help in determining effective barrier width of any size of actual antidot geometry.

  6. Flight Reconstruction of the Mars Pathfinder Disk-Gap-Band Parachute Drag Coefficient

    NASA Technical Reports Server (NTRS)

    Desai, Prasun; Schofield, John T.; Lisano, Michael E.

    2003-01-01

    On July 4, 1997, the Mars Pathfinder (MPF) mission successfully landed on Mars. The entry, descent, and landing (EDL) scenario employed the use of a Disk-Gap-Band parachute design to decelerate the Lander. Flight reconstruction of the entry using MPF flight accelerometer data revealed that the MPF parachute decelerated faster than predicted. In the summer of 2003, the Mars Exploration Rover (MER) mission will send two Landers to the surface of Mars arriving in January 2004. The MER mission utilizes a similar EDL scenario and parachute design as that employed by MPF. As a result, characterizing the degree of underperformance of the MPF parachute system is critical for the MER EDL trajectory design. This paper provides an overview of the methodology utilized to estimate the MPF parachute drag coefficient as experienced on Mars.

  7. The ideal chip is not enough: Issues retarding the success of wide band-gap devices

    NASA Astrophysics Data System (ADS)

    Kaminski, Nando

    2017-04-01

    Semiconductor chips made from the wide band-gap (WBG) materials silicon carbide (SiC) or gallium nitride (GaN) are already approaching the theoretical limits given by the respective materials. Unfortunately, their advantages over silicon devices cannot be fully exploited due to limitations imposed by the device packaging or the circuitry around the semiconductors. Stray inductances slow down the switching speed and increase losses, packaging materials limit the maximum temperature and the maximum useful temperature swing, and passives limit the maximum switching frequency. All these issues have to be solved or at least minimised to make WBG attractive for a wider range of applications and, consequently, to profit from the economy of scale.

  8. Anharmonic stabilization and band gap renormalization in the perovskite CsSnI3

    NASA Astrophysics Data System (ADS)

    Patrick, Christopher E.; Jacobsen, Karsten W.; Thygesen, Kristian S.

    2015-11-01

    Amongst the X (Sn,Pb) Y3 perovskites currently under scrutiny for their photovoltaic applications, the cubic B -α phase of CsSnI3 is arguably the best characterized experimentally. Yet, according to the standard harmonic theory of phonons, this deceptively simple phase should not exist at all due to rotational instabilities of the SnI6 octahedra. Here, employing self-consistent phonon theory, we show that these soft modes are stabilized at experimental conditions through anharmonic phonon-phonon interactions between the Cs ions and their iodine cages. We further calculate the renormalization of the electronic energies due to vibrations and find an unusual opening of the band gap, estimated as 0.24 and 0.11 eV at 500 and 300 K, which we attribute to the stretching of Sn-I bonds. Our work demonstrates the important role of temperature in accurately describing these materials.

  9. Using Wannier functions to improve solid band gap predictions in density functional theory

    PubMed Central

    Ma, Jie; Wang, Lin-Wang

    2016-01-01

    Enforcing a straight-line condition of the total energy upon removal/addition of fractional electrons on eigen states has been successfully applied to atoms and molecules for calculating ionization potentials and electron affinities, but fails for solids due to the extended nature of the eigen orbitals. Here we have extended the straight-line condition to the removal/addition of fractional electrons on Wannier functions constructed within the occupied/unoccupied subspaces. It removes the self-interaction energies of those Wannier functions, and yields accurate band gaps for solids compared to experiments. It does not have any adjustable parameters and the computational cost is at the DFT level. This method can also work for molecules, providing eigen energies in good agreement with experimental ionization potentials and electron affinities. Our approach can be viewed as an alternative approach of the standard LDA+U procedure. PMID:27114185

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

    PubMed

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

    2016-02-12

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

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

    PubMed

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

    2014-11-19

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

  12. Room-temperature direct band-gap electroluminescence from germanium (111)-fin light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Tani, Kazuki; Saito, Shin-ichi; Oda, Katsuya; Miura, Makoto; Wakayama, Yuki; Okumura, Tadashi; Mine, Toshiyuki; Ido, Tatemi

    2017-03-01

    Germanium (Ge) (111) fins of 320 nm in height were successfully fabricated using a combination of flattening sidewalls of a silicon (Si) fin structure by anisotropic wet etching with tetramethylammonium hydroxide, formation of thin Ge fins by selective Si oxidation in SiGe layers, and enlargement of Ge fins by Ge homogeneous epitaxial growth. The excellent electrical characteristics of Ge(111) fin light-emitting diodes, such as an ideality factor of 1.1 and low dark current density of 7.1 × 10‑5 A cm‑2 at reverse bias of ‑2 V, indicate their good crystalline quality. A tensile strain of 0.2% in the Ge fins, which originated from the mismatch of the thermal expansion coefficients between Ge and the covering SiO2 layers, was expected from the room-temperature photoluminescence spectra, and room-temperature electroluminescence corresponding to the direct band-gap transition was observed from the Ge fins.

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

    NASA Astrophysics Data System (ADS)

    Raghu, P.; Naveen, C. S.; Shailaja, J.; Mahesh, H. M.

    2016-05-01

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

  14. Transparent, metallo-dielectric, one-dimensional, photonic band-gap structures

    NASA Astrophysics Data System (ADS)

    Scalora, M.; Bloemer, M. J.; Pethel, A. S.; Dowling, J. P.; Bowden, C. M.; Manka, A. S.

    1998-03-01

    We investigate numerically the properties of metallo-dielectric, one-dimensional, photonic band-gap structures. Our theory predicts that interference effects give rise to a new transparent metallic structure that permits the transmission of light over a tunable range of frequencies, for example, the ultraviolet, the visible, or the infrared wavelength range. The structure can be designed to block ultraviolet light, transmit in the visible range, and reflect all other electromagnetic waves of lower frequencies, from infrared to microwaves and beyond. The transparent metallic structure is composed of a stack of alternating layers of a metal and a dielectric material, such that the complex index of refraction alternates between a high and a low value. The structure remains transparent even if the total amount of metal is increased to hundreds of skin depths in net thickness.

  15. Band Gap, Molecular Energy and Electrochromic Characterization of Electrosynthesized Hydroxymethyl 3,4-Ethylenedioxythiophene

    NASA Astrophysics Data System (ADS)

    Co, Thien Thanh; Tran, Tri Quoc; Le, Hai Viet; Ho, Vu Anh Pham; Tran, Lam Dai

    2016-12-01

    Hydroxymethyl functionalized 3,4-ethylenedioxythiophene (EDOT-MeOH) monomer was synthesized according to a previously reported procedure. Electropolymerization of EDOT-MeOH was performed in acetonitrile (ACN) containing tetrabutylammonium perchlorate (Bu4NClO4) as the supporting electrolyte by chronoamperometry on platinum (Pt) and fluorine-doped tin oxide-coated glass substrates. The resulting conjugated polymer (PEDOT-MeOH) was characterized by cyclic voltammetry and UV-Vis spectrophotometer techniques. The polymer showed a deep HOMO energy level of -5.31 eV with a very low band gap of 1.54 eV. Spectroelectrochemical study revealed that the PEDOT-MeOH has interesting electrochromic properties.

  16. Electron correlations and the minority-spin band gap in half-metallic Heusler alloys.

    PubMed

    Chioncel, L; Arrigoni, E; Katsnelson, M I; Lichtenstein, A I

    2006-04-07

    Electron-electron correlations affect the band gap of half-metallic ferromagnets by introducing nonquasiparticle states just above the Fermi level. In contrast with the spin-orbit coupling, a large asymmetric nonquasiparticle spectral weight is present in the minority-spin channel, leading to a peculiar finite-temperature spin depolarization effects. Using recently developed first-principle dynamical mean-field theory, we investigate these effects for the half-metallic ferrimagnetic Heusler compound FeMnSb. We discuss depolarization effects in terms of strength of local Coulomb interaction U and temperature in FeMnSb. We propose Ni(1-x)Fe(x)MnSb alloys as a perspective materials to be used in spin-valve structures and for experimental search of nonquasiparticle states in half-metallic materials.

  17. Band Gap, Molecular Energy and Electrochromic Characterization of Electrosynthesized Hydroxymethyl 3,4-Ethylenedioxythiophene

    NASA Astrophysics Data System (ADS)

    Co, Thien Thanh; Tran, Tri Quoc; Le, Hai Viet; Ho, Vu Anh Pham; Tran, Lam Dai

    2017-03-01

    Hydroxymethyl functionalized 3,4-ethylenedioxythiophene (EDOT-MeOH) monomer was synthesized according to a previously reported procedure. Electropolymerization of EDOT-MeOH was performed in acetonitrile (ACN) containing tetrabutylammonium perchlorate (Bu4NClO4) as the supporting electrolyte by chronoamperometry on platinum (Pt) and fluorine-doped tin oxide-coated glass substrates. The resulting conjugated polymer (PEDOT-MeOH) was characterized by cyclic voltammetry and UV-Vis spectrophotometer techniques. The polymer showed a deep HOMO energy level of -5.31 eV with a very low band gap of 1.54 eV. Spectroelectrochemical study revealed that the PEDOT-MeOH has interesting electrochromic properties.

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

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

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

  19. Scanning nonreciprocity spatial four-wave mixing process in moving photonic band gap

    NASA Astrophysics Data System (ADS)

    Wang, Hang; Zhang, Yunzhe; Li, Mingyue; Ma, Danmeng; Guo, Ji; Zhang, Dan; Zhang, Yanpeng

    2017-03-01

    We experimentally investigate the scanning nonreciprocity of four-wave mixing process induced by optical parametric amplification in moving photonic band gap, which is different from the propagation nonreciprocity in the optical diode. Meanwhile the frequency offset and the intensity difference are observed when we scan the frequency of the beams on two arm ramps of one round trip. Such scanning nonreciprocities can be controlled by changing the frequency detuning of the dressing beams. For the first time, we find that the intensity difference can cause the nonreciprocity in spatial image. In the nonreciprocity process, the focusing or defocusing is resulted from the feedback dressing self-phase modulation while shift and split is attributed to feedback dressing cross-phase modulation. Our study could have a potential application in the controllable optical diode.

  20. Band gap engineering of Si-Ge alloys for mid-temperature thermoelectric applications

    SciTech Connect

    Pulikkotil, J. J.; Auluck, S.

    2015-03-15

    The viability of Si-Ge alloys in thermoelectric applications lies in its high figure-of-merit, non-toxicity and earth-abundance. However, what restricts its wider acceptance is its operation temperature (above 1000 K) which is primarily due to its electronic band gap. By means of density functional theory calculations, we propose that iso-electronic Sn substitutions in Si-Ge can not only lower its operation to mid-temperature range but also deliver a high thermoelectric performance. While calculations find a near invariance in the magnitude of thermopower, empirical models indicate that the materials thermal conductivity would also reduce, thereby substantiating that Si-Ge-Sn alloys are promising mid-temperature thermoelectrics.