相关论文: Electronic and optical properties of InAs(110)
We are able to disentagle the effects of the intraband and interband parts of the bulk dielectric function on the bare dielectric anisotropy of the surface. We show how the position, sign and amplitude of the structures observed in such…
Electronic and atomic structures of the clean, and As and Te covered Si(211) surface are studied using pseudopotential density functional method. The clean surface is found to have (2 X 1) and rebonded (1 X 1) reconstructions as stable…
Several methods are constructed for large-scale electronic structure calculations. Test calculations are carried out with up to 10^7 atoms. As an application, cleavage process of silicon is investigated by molecular dynamics simulation with…
The optical properties of YNi$_2$B$_2$C are studied by using the first-principles full-potential linearized augmented plane wave (FLAPW) method within the local density approximation. Anisotropic behavior is obtained in the optical…
Electronic structures for InxGa1-xAs nanowires with [100], [110], and [111] orientations and critical dimensions of approximately 2 nm are treated within the framework of density functional theory. Explicit band structures are calculated…
We report comprehensive study of physical properties of the binary superconductor compound SnAs. The electronic band structure of SnAs was investigated using both angle-resolved photoemission spectroscopy (ARPES) in a wide binding energy…
The optical properties of thermally annealed TiO2 samples depend on their preparation process, and the TiO2 thin films usually exist in the form of anatase or rutile or the mixture of the two phases. The electronic structures and optical…
Structural and optical properties of MBE-grown GaAs(001) surface have been studied by reflection high-energy electron diffraction and single-wavelength ellipsometry under dynamic conditions of ramp heating after desorption of passivating…
Indium phosphide and derived compound semiconductors are materials often involved in high-efficiency solar water splitting due to their versatile opto-electronic properties. Surface corrosion, however, typically deteriorates the performance…
We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates…
We calculate the electronic and optical properties of InAs/InAs$_{0.625}$Sb$_{0.375}$ superlattices within relativistic density functional theory. To have a good description of the electronic and optical properties, the modified…
Low-temperature in-plane magnetotransport measurements have been performed on adsorbate-induced electron systems formed at in-situ cleaved surfaces of p-type InAs. The Ag-coverage dependence of the surface electron density strongly supports…
Small numbers of nitrogen dopants dramatically modify the electronic properties of GaAs, generating very large shifts in the conduction-band energies with nonlinear concentration dependence, and impurity-associated spatially-localized…
We report on the experimental observation by scanning tunneling microscopy at low temperature of ring-like features that appear around Co metal clusters deposited on a clean (110) oriented surface of cleaved p-type InAs crystals. These…
The ab initio calculation with the density functional theory and plane-wave bases is carried out for stepped Si(111)-2x1 surfaces that were predicted in a cleavage simulation by the large-scale (order-N) electronic structure theory (T.…
In this paper we study the properties of an electron trapped on a torus surface. We consider the influence of surface curvature on the spectrum and the behaviour of the wave function. In addition, the effects of external electric and…
We study entanglement spectra of gapped states on the surfaces of symmetry-protected topological phases. These surface states carry anomalies that do not allow them to be terminated by a trivial state. Their entanglement spectra are…
The properties of InAs (110) surfaces have been investigated by means of low-temperature scanning tunneling microscopy and spectroscopy. A technique for ex-situ sulphur passivation has been developed to form an accumulation layer on such a…
First principles total-energy pseudopotential calculations have been performed to investigate STM images of the (110) cross-sectional surface of Mn-doped GaAs. We have considered configurations with Mn in interstitial positions in the…
We present ab initio local-density-functional electronic structure calculations for the (111) and (-1-1-1) surfaces of cubic BN. The energetically stable reconstructions, namely the N adatom, N3 triangle models on the (111), the (2x1),…