Browsing by Keywords "Band structure"
Now showing items 1-20 of 35
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Accurate method for obtaining band gaps in conducting polymers using a DFT/hybrid approach
(American Chemical Society, 1998)DFT calculations on a series of oligomers have been used to estimate band gaps, ionization potentials, electron affinities, and bandwidths for polyacetylene, polythiophene, polypyrrole, polythiazole, and a thiophene - ... -
Accurate modeling of metamaterials with MLFMA
(ESA Publications, 2006)Electromagnetic modelling of large metamaterial (MM) structures employing multilevel fast multipole algorithm (MLFMA) is reported. MMs are usually constructed by periodically embedding unit cells, such as split-ring ... -
Band gap and optical transmission in the Fibonacci type one-dimensional A5B6C7 based photonic crystals
(Wiley-VCH Verlag, 2015)In this work, we present an investigation of the optical properties and band structure calculations for the photonic crystal structures (PCs) based on one-dimensional (1D) photonic crystal. Here we use 1D A5B6C7(A:Sb; ... -
Band Structure and Optical Properties of Kesterite Type Compounds: First principle calculations
(Institute of Physics Publishing, 2017)In present work, our research is mainly focused on the electronic structures, optical and magnetic properties of Cu2FeSnZ4 (Z = S, Se) compounds by using ab initio calculations within the generalized gradient approximation ... -
Band-dropping via coupled photonic crystal waveguides
(Optical Society of American (OSA), 2002)We observe the dropping of electromagnetic waves having a specific frequency or a certain frequency band in two-dimensional dielectric photonic crystals. The single frequency is dropped via cavity-waveguide coupling. ... -
Characterization and stability of Janus TiXY (X/Y = S, Se, and Te) monolayers
(American Chemical Society, 2019)The realization of Janus MoSSe monolayers has brought two-dimensional (2D), ternary transition metal dichalcogenides (TMDs) into focus. The addition of a third element can lead to superior properties, hence extensive ... -
Chiral single-wall gold nanotubes
(American Physical Society, 2004)The formation of freestanding and tip-suspended chiral-wall (n,m) nanotubes, which were composed of helical atomic strands, from gold atoms was investigated using first-principles calculations, where (n,m) notation defines ... -
Determination of energy-band offsets between GaN and AlN using excitonic luminescence transition in AlGaN alloys
(American Institute of PhysicsA I P Publishing LLC, 2006)We report the determination of the energy-band offsets between GaN and AlN using the linewidth (full width at half maximum) of an extremely sharp excitonic luminescence transition in Alx Ga1-x N alloy with x=0.18 at 10 K. ... -
Electron initiated impact ionization in AlGaN alloys
(Institute of Physics, 2002)Detailed impact ionization (II) analysis of electrons is presented for AlGaN alloys as a vital resource for solar-blind avalanche photodiode and high power transistor applications. Necessary ingredients for the II ... -
Enhanced hole transport in InGaN/GaN multiple quantum well light-emitting diodes with a p-type doped quantum barrier
(Optical Society of America, 2013)We study hole transport behavior of InGaN/GaN light-emitting diodes with the dual wavelength emission method. It is found that at low injection levels, light emission is mainly from quantum wells near p-GaN, indicating ... -
Ferroelectric based fractal phononic crystals: wave propagation and band structure
(Taylor & Francis, 2020-04)In this study, the band structure and transmission in multiferroic based Sierpinski carpet phononic crystal are investigated based on finite element simulation. In order to obtain the band structure of the phononic crystal ... -
Functionalized carbon nanotubes and device applications
(IOP, 2004)Carbon nanotubes, in which the two-dimensional hexagonal lattice of graphene is transformed into a quasi-one-dimensional lattice by conserving the local bond arrangement, provide several structural parameters for engineering ... -
Incommensurate phase transition and electronic properties of BaMnF4
(IOP, 2019)We present the ab initio study the electronic, mechanical and structural properties of BaMnF4. We duscuss the trends in the electronic and mechanical properties of BaMnF4 under pressure up to 80 GPa. BaMnF4 belongs to ... -
k · p Parametrization and linear and circular dichroism in strained monolayer (janus) transition metal dichalcogenides from first-principles
(American Chemical Society, 2021-04-08)Semiconductor monolayer transition metal dichalcogenides (TMDs) have brought a new paradigm by introducing optically addressable valley degree of freedom. Concomitantly, their high flexibility constitutes a unique platform ... -
Low-temperature photoluminescence spectra of layered semiconductor TlGaS2
(Pergamon Press, 1998)Photoluminescence (PL) spectra of TlGaS2 layered single crystals were studied in the wavelength region 500-860 nm and in the temperature range 9.5-293 K. We observed a total of three PL bands centered at 568 nm (2.183 eV, ... -
Low-temperature photoluminescence spectra of TlInxGa1-xS2 layer mixed crystals
(Pergamon Press, 1995)Low-temperature photoluminescence spectra of TlInS2, TlIn0.95Ga0.05S2 and TlIn0.8Ga0.2S2 layer crystals were studied in the temperature range 14-220 K. The temperature dependencies of bands 2.374 eV (A), 2.570 eV (E) and ... -
Low-temperature visible photoluminescence spectra of TlGaSe2 layered crystal
(Elsevier Science Publishers B.V., Amsterdam, Netherlands, 2000)The photoluminescence (PL) spectra of TlGaSe2 layered single crystals were investigated in the 8.5-35 K temperature. 0.2-15.2 W cm-2 excitation laser intensity, and in the 600-700 nm wavelength range. The PL spectrum has ... -
Novel metallic clathrates of group-IV elements and their compounds in a dense hexagonal lattice
(American Chemical Society, 2019)Further, to recently introduced metallic NaSi6 and Si6 clathrate structures, we show that not only Si but also other group-IV elements, such as C, Ge, and Sn, can form stable and metallic clathrate structures with open ... -
One and two dimensional LiNbO3 photonic crystals
(IEEE, 2013)In this report, we present an investigation of the optical properties and band structure calculations for the photonic crystal structures (PCs) based on one-dimensional (1D) and two-dimensional (2D) ferroelectric LiNbO3 ... -
Optical, electronic, and elastic properties of some A5B6C7 ferroelectrics (A=Sb, Bi; B=S, Se; C=I, Br, Cl): first principle calculation
(Taylor and Francis Inc., 2017)In present paper, we focus on the structural, mechanical, electronic, and optical properties for the A5B6C7(A = Sb, Bi; B = Te, Se; S; C = I, Br, Cl) compounds using the density functional methods in generalized gradient ...
