相关论文: Electron confinement and optical enhancement in Si…
We have constructed microscopic, structurally-relaxed atomistic models of Si/SiO$_2$ superlattices. The structural distortion and oxidation-state characteristics of the interface Si atoms are examined in detail. The role played by the…
The improvement of light absorption in Si/BeSe$_{0.41}$Te$_{0.59}$ heterostructures for solar cell applications is studied theoretically. First, using simple approaches we found that light absorption could be improved in a single…
We present an experimental and theoretical study of the conduction states of crystalline Si films confined within amorphous SiO_2 barriers, using the Si-2p core-level excitations. The spectral peaks near the conduction band minimum are…
A tight binding supercell approach is used for the calculation of the electronic structure of the (111) LaAlO$_3$/SrTiO$_3$ interface. The confinement potential at the interface is evaluated solving a discrete Poisson equation by means of…
The reduction of dimensionality is an efficient pathway to boost the performances of thermoelectric materials, it leads to the quantum confinement of the carriers and thus to large Seebeck coefficients (S) and it also suppresses the thermal…
We have studied interacting and non-interacting quantum degenerate Fermi gases in a three-dimensional optical lattice. We directly image the Fermi surface of the atoms in the lattice by turning off the optical lattice adiabatically. Due to…
We study the ground-state properties of spin-1/2 fermionic atoms confined in a one-dimensional optical superlattice with harmonic confinement by using the density matrix renormalization group method. For this purpose, we consider an ionic…
We have calculated electronic and optical properties of Si/BeSe$_{0.41}$Te$_{0.59}$ heterostructures by a semiempirical $sp^{3}s^{*}$ tight-binding method. Tight-binding parameters and band bowing of BeSe$_{0.41}$Te$_{0.59}$ are considered…
We use resonant soft x-ray scattering to study electronic reconstruction at the interface between the Mott insulator LaMnO3 and the "band" insulator SrMnO3. Superlattices of these two insulators were shown previously to have both…
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…
The structural, electronic and optical properties of Si nanocrystals of different size and shape, passivated with hydrogens, OH groups, or embedded in a SiO2 matrix are studied. The comparison between the embedded and free, suspended…
Functional defects in periodic media confine waves - acoustic, electromagnetic, electronic, spin, etc. - in various dimensions, depending on the structure of the defect. While defects are usually modelled by a superlattice with a typical…
Using a combination of first-principles simulations, based on the density functional theory and Boltzmann's semiclassical theory, we have calculated the transport and thermoelectric properties of the half-metallic two dimensional electron…
We have carried out a first principles study of the elastic properties and electronic structure for two room-temperature stable Pt silicide phases, tetragonal alpha-Pt_2Si and orthorhombic PtSi. We have calculated all of the equilibrium…
Using density functional theory calculations including a Hubbard $U$ term we explore the effect of strain and confinement on the electronic ground state of superlattices containing the band insulator LaAlO$_3$ and the correlated metal…
Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and…
In recent years many experiments have demonstrated the possibility to achieve efficient photoluminescence from Si/SiO2 nanocrystals. While it is widely known that only a minor portions of the nanocrystals in the samples contribute to the…
Spherical shaped Si quantum dots (QDs) embedded into the SiO2 substrate are considered in the single sub-band effective mass approach. Nonparabolicity of the Si conduction band is described by the energy dependence of electron effective…
In single unit-cell FeSe grown on SrTiO3, the superconductivity transition temperature features a significant enhancement. Local phonon modes at the interface associated with electron-phonon coupling may play an important role in the…