相关论文: Calculated optical properties of Si, Ge, and GaAs …
Structural, electronic and optical properties of Cu2ZnSn(SxSe1-x)4 semiconductors are studied theoretically for different concentration of S and Se anions. The optical properties are calculated at three levels of theory, in the generalized…
The optoelectronic properties of nanoscale systems such as carbon nanotubes (CNTs), graphene nanoribbons and transition metal dichalcogenides (TMDCs) are determined by their dielectric function. This complex, frequency dependent function is…
Epitaxial ferromagnetic metal - semiconductor heterostructures are investigated using polarization-dependent electroabsorption measurements on GaAs p-type and n-type Schottky diodes with embedded In1-xGaxAs quantum wells. We have conducted…
The dielectric function is one of the most important quantities that describes the electrical and optical properties of solids. Accurate modeling of the frequency-dependent dielectric function has great significance in the study of the…
We study above-barrier scattering of Dirac electrons by a smooth electrostatic potential combined with a coordinate-dependent mass in graphene. We assume that the potential and mass are sufficiently smooth, so that we can define a small…
Improved computation of the dielectric function considering excitonic effects and long wavelength is performed and compared with the nearly free electron band approximation, similarly with the Penn's model case. New expressions for the real…
The properties of a semiconductor get drastically modified when the crystal point group symmetry is broken under an arbitrary strain. We investigate the family of semiconductors consisting of GaAs, GaSb, InAs and InSb, considering their…
We present a comprehensive first-principles investigation of the structural, electronic, optical, and thermodynamic properties of BeX compounds (X = S, Se, Te) under hydrostatic pressures ranging from 0 to 10 GPa. Calculations were…
The influence of solubilizing substitutional groups on the electronic and optical properties of functionalized pentacene molecules and crystals have been investigated. Density functional theory is used to calculate the electronic and…
We used our previously implemented GW approximation (GWA) based on the all-electron full-potential projector augmented wave (PAW) method to study the optical properties of small, medium and large-band-gap semiconductors: Si, GaAs, AlAs,…
Optical properties of semiconductors can exhibit strong polarization dependence due to crystalline anisotropy. A number of recent experiments have shown that the photoluminescence intensity in free standing nanowires is polarization…
We present a simulation to characterize the dependence on hydrostatic pressure for the photoluminescence spectra in self-assembled quantum dots with lens shape geometry. We have tested the physical effects of the band offset and…
We investigate the electronic, thermal, and optical characteristics of graphene like SiC$_x$ structure using model calculations based on density functional theory. The change in the energy bandgap can be tuned by the Si atomic…
We present spin-resolved measurements of the local density of states in Si doped GaAs. Both spin components exhibit strong mesoscopic fluctuations. In the magnetic quantum limit, the main features of the spin-up and spin-down components of…
We apply a generalized model for the determination and analysis of the dielectric function of optically anisotropic materials with colour dispersion to phonon modes and show that it can also be generalized to excitonic polarizabilities and…
In this work we present a new procedure to compute optical spectra including excitonic effects and approximated quasiparticle corrections with reduced computational effort. The excitonic effects on optical spectra are included by solving…
A spin-dependent emission of optically oriented electrons from p-GaAs(Cs,O) into vacuum was experimentally observed in a magnetic field normal to the surface. This phenomenon is explained within the model which takes into account the jump…
In recent years, the negatively charged group-IV--vacancy defects in diamond, labeled as G4V(-) or G4V centers, have attracted significant attention in quantum information processing. In this study, we investigate the magneto-optical…
Based on first-principles calculations, we predict a substantial increase in the optical dielectric function of LiAsSe$_2$ under pressure. We find that the optical dielectric constant is enhanced threefold under volume compression. This…
Self-interaction error (SIE), arising from the imperfect cancellation of the spurious classical Coulomb interaction between an electron and itself, is a persistent challenge in modern density functional approximations. This issue is…