Related papers: Effective masses and complex dielectric function o…
The electronic band structures and optical properties of cubic, tetragonal, and monoclinic phases of HfO2 are calculated using the first-principles linear augmented plane-wave method, within the density functional theory and generalized…
First-principles electronic band structure investigations of five compounds of the CaO-Al2O3 family, 3CaO.Al2O3, 12CaO.7Al2O3, CaO.Al2O3, CaO.2Al2O3 and CaO.6Al2O3, as well as CaO and alpha-, theta- and kappa-Al2O3 are performed. We find…
We have used the diffusion quantum Monte Carlo method to calculate the energy band of the two-dimensional homogeneous electron gas (HEG), and hence we have obtained the quasiparticle effective mass and the occupied bandwidth. We find that…
The electronic structures and optical properties of cubic HfO2 are calculated by means of generalized gradient approximation (GGA) +U approach. Without on-site Coulomb interactions, the band gap of cubic HfO2 is 2.92eV, much lower than the…
We present numerical calculations of the electron effective mass in an interacting, ferromagnetic, two-dimensional electron system. We consider quantum interaction effects associated with the charge-density fluctuation induced many-body…
Using the dynamical mean-field theory, we calculate the effective electron mass in the Hubbard model on a semi-infinite lattice. At the surface the effective mass is strongly enhanced. Near half-filling this gives rise to a…
Structural, electronic, and optical properties for the cubic, tetragonal, and monoclinic crystalline phases of ZrO2, as derived from it ab initio full-relativistic calculations, are presented. The electronic structure calculations were…
The very-low temperature thermal effective mass m* of paramagnetic and ferromagnetic electrons in a uniform electron fluid in two dimensions is studied. Analytical and numerical evaluations are used to meaningfully define an m*, even in the…
We find that layered materials composed of various oxides of cations with $s^2$ electronic configuration, $XY_2$O$_4$, $X$=In or Sc, $Y$=Ga, Zn, Al, Cd and/or Mg, exhibit isotropic electron effective mass which can be obtained via averaging…
First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…
In order to calculate the effective mass of quasiparticles for a strongly correlated metallic system in which the number of carriers, n, is less than that of atoms (or lattices), l, the metallic system is averaged by one effective charge…
By taking the virtual inter-band transitions along with the intra-band ones into full account, here we first propose an effective band mass theorem that is suitable for a wide-class of single-particle Hamiltonians exhibiting multiple energy…
The band structure of the cubic spinel compound LiV_2O_4, which has been reported recently to show heavy Fermion behavior, has been calculated within the local-density approximation using a full-potential version of the linear…
The effective mass, m*, of the electrons confined in high-mobility SiGe/Si/SiGe quantum wells has been measured by the analysis of the temperature dependence of the Shubnikov-de Haas oscillations. In the accessible range of electron…
The complex dielectric functions of LiNbO$_2$ were determined using optical transmittance and reflectance spectroscopies at room temperature. The measured dielectric function spectra reveal distinct structures at several bandgap energies.…
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…
Recent experiments on two-dimensional (2D) electron systems have found a sharp increase in the effective mass of electrons with decreasing electron density. In an effort to understand this behavior we employ the many-body theory to…
The trial wave function method developed in Ref.s \cite{gutz,brink} for the case of narrow {\it s}-band in a perfect crystal is adapted for calculation of the density dependence of the effective mass and the Lande factor in a dilute…
The energy spectrum of the conduction band in HgTe/Cd$_x$Hg$_{1-x}$Te quantum wells of a width $d=(4.6-20.2)$ nm has been experimentally studied in a wide range of electron density. For this purpose, the electron density dependence of the…
The general theory for quantum simulation of cubic semiconductor n-MOSFETs is presented within the effective mass equation approach. The full three-dimensional transport problem is described in terms of coupled transverse subband modes…