Related papers: Density functional theory study on effect of NO an…
We analyze the effect that the Coulomb interaction has on the edge excitations of an electron gas confined in a bar of thickness $W$, and in presence of a magnetic field corresponding to filling factor 1 Quantum Hall effect. We find that…
The effects of the oxidation atmosphere and crystal faces on the interface-trap density was examined by using constant-capacitance deep-level transient spectroscopy to clarify the origin of them. By comparing the DLTS spectra of the…
We derive a dielectric-dependent hybrid functional which accurately describes the electronic properties of heterogeneous interfaces and surfaces, as well as those of three- and two-dimensional bulk solids. The functional, which does not…
We consider a two-dimensional Coulomb gas of positive and negative pointlike unit charges interacting via a logarithmic potential. The density (rather than the charge) correlation functions are studied. In the bulk, the form-factor theory…
The influence of Coulomb interaction on transport properties of spinless electrons in small disordered two dimensional systems is studied within a tight binding model. Spatial correlations, inverse participation ratio, and multifractal…
The non-relativistic interacting electron gas in an external field of positively charged massive cores is dealt with in the scheme of second quantization. Ladder operators that change between stationary states of contiguous energy…
Optical conductivity (OC) can serve as a measure of correlation effects in a wide range of condensed matter systems. We here show that the long-range tail of the Coulomb interaction yields a universal correction to the OC in a…
First principles density functional theory (DFT) is used to investigate the electronic structure of \beta-MnO2. From collinear spin polarized calculations we find that DFT+U_Eff predicts a gapless ferromagnet in contrast with experiment…
We investigate the electronic properties of the LaAlO3/SrTiO3 interface using density functional theory. In contrast to previous studies, which relied on (semi-)local functionals and the GGA+U method, we here use a recently developed hybrid…
We apply density functional theory, in the local density approximation, to a quasi-one-dimensional electron gas in order to quantify the effect of Coulomb and correlation effects in modulating, and therefore patterning, the charge density…
The control of recently observed spintronic effects in topological-insulator/ferromagnetic-metal (TI/FM) heterostructures is thwarted by the lack of understanding of band structure and spin texture around their interfaces. Here we combine…
To improve mobility of fabricated silicon metal-oxide-semiconductor (MOS) quantum devices, forming gas annealing is a common method used to mitigate the effects of disorder at the Si/SiO2 interface. However, the importance of activation…
The quasi two-dimensional electron gas (q-2DEG) at oxide interfaces provides a platform for investigating quantum phenomena in strongly correlated electronic systems. Here, we study the transport properties at the high-mobility…
The role of electronic correlation effects for a realistic description of the electronic properties of LaAlO3/SrTiO3 heterostructures as covered by the on-site Coulomb repulsion within the GGA+U approach is investigated. Performing a…
The effects of nitridation on the density of traps at SiO$_2$/SiC interfaces near the conduction band edge were qualitatively examined by a simple, newly developed characterization method that utilizes Hall effect measurements and split…
We have extended our supercomputer-enabled Monte Carlo simulations of hopping transport in completely disordered 2D conductors to the case of substantial electron-electron Coulomb interaction. Such interaction may not only suppress the…
Group IV heavy elements atomic layers are expected to show an interesting physical properties due to their large spin-orbit coupling (SOC). Using density functional theory (DFT) calculations with/without SOC we investigate the variation of…
We investigate theoretically the effects of the Coulomb interaction and spin-orbit interactions (SOIs) on the anisotropic transport property of semiconductor quantum wires embedded in (110) plane. The anisotropy of the dc conductivity can…
A new mechanism for charge carrier scattering in transition-metal dichalcogenide monolayers is proposed on the basis of the theory of two-dimensional nonlocal screening developed for the dielectric function of thin-layer insulating…
The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the…