相关论文: Multiband $k \cdot p$ theory for hexagonal germani…

We study the band structure and transport property of a zigzag silicene nanoribbon when the electric fields are applied to the edges. It is found that a band bending could be induced and controlled by the antisymmetric edge fields, which…

We report the compositional dependence of the electronic band structure for a range of III-V alloys. Density functional theory with the PBE functional is insufficient to mimic the electronic gap energies at different symmetry points of the…

In the envelope-function approximation, interband transitions produced by electric fields are neglected. However, electric fields may lead to a spatially local ($k$-independent) coupling of band (internal, pseudospin) degrees of freedom.…

Cosine-shaped bands that occur in DFT-based electronic band structures for MgB2 are further analyzed with calculations along reciprocal directions parallel to the high symmetry G-A direction at regular intervals along G-M. Band degeneracies…

Incorporation of bismuth (Bi) in dilute quantities in (In)GaAs has been shown to lead to unique electronic properties that can in principle be exploited for the design of high efficiency telecomm lasers. This motivates the development of…

Renewable energy resources have emerged as the best alternatives to fossil fuel energy which are rapidly declining with time. Here, eight valence-electron count Half-Heusler(HH) alloys have been studied using reliable first principles…

We construct the symmetry adapted low energy effective Hamiltonian for the electronic states in the vicinity of the Fermi level in iron based superconductors. We use Luttinger's method of invariants, expanding about Gamma and M points in…

The electronic energy band structure of strained and unstrained Si, Ge and SiGe alloys is examined in this work using thirty-level k.p analysis. The energy bands are at first obtained with ab initio calculations based on the…

In recent years, there is an increasing interest in transport phenomena that are fundamentally linked to the presence of multiple bands. In this thesis, we develop, discuss, and apply a theory of the electrical conductivity that includes…

A systematic study of the electronic properties of single layer Sb (antimonene) nanoribbons is presented. By using a 6-orbital tight-binding Hamiltonian, we study the electronic band structure of finite ribbons with zigzag or armchair…

We performed a first-principles study of the electronic behavior of a 2D hexagonal boron phosphide monolayer (2D-h-BP). The system was deformed isotropically by applying a simultaneous tensile strain along the a and b crystal axes. We…

We use the method of invariants to derive one- and two-band effective Hamiltonians of a noncentrosymmetric two-dimensional electron gas, in the presence of magnetic field. A complete classification of the antisymmetric spin-orbit and…

The five-band Hubbard model for a $d$ band with one electron per site is a model which has very interesting properties when the relevant ions are located at sites with high (e. g. cubic) symmetry. In that case, if the crystal field…

Reconstructing effective Hamiltonians of condensed matter systems directly from experimental data is challenging because of the intricate relationship between Hamiltonian parameters and observables. Here, we reconstruct an effective…

We discuss the choice and implementation of inter-valley potentials in the so-called two bands $\mathbf{k}\cdot\mathbf{p}$ model for the opposite $X$, $Y$ or $Z$ valleys of silicon. We focus on the description of valley splittings in…

Germanium is a strong candidate as a laser source for silicon photonics. It is widely accepted that the band structure of germanium can be altered by tensile strain so as to reduce the energy difference between its direct and indirect band…

The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme,…

Silicon crystallized in the usual cubic (diamond) lattice structure has dominated the electronics industry for more than half a century. However, cubic silicon (Si), germanium (Ge) and SiGe-alloys are all indirect bandgap semiconductors…

We derive a low-energy effective $\mathbf{k}\cdot\mathbf{p}$ Hamiltonians for monolayer C$_{3}$N at the $ \Gamma $ and $ M $ points of the Brillouin zone where the band edge in the conduction and valence band can be found. Our analysis of…

For two-dimensional single-valley quadratic band crossing systems with weak repulsive electron-electron interactions, we show that upon introducing a chemical potential, particle-hole order is suppressed and superconductivity becomes the…