Related papers: Transferable tight binding model for strained grou…
The tight binding model is a minimal electronic structure model for molecular modelling and simulation. We show that the total energy in this model can be decomposed into site energies, that is, into contributions from each atomic site…
Heterostructures of two-dimensional transition metal dichalcogenides (TMDs) are emerging as a promising platform for investigating exotic correlated states of matter. Here, we propose to engineer Bose-Fermi mixtures in these systems by…
A topological superconductor features at its boundaries and vortices Majorana fermions, which are potentially applicable for topological quantum computations. The scarcity of the known experimentally verified physical systems with…
This work reports superconductivity studies in the intermetallic Ti$_{0.85}$Pd$_{0.15}$ performed in normal conditions and under hydrostatic pressure. The crystal structure of the compound has a body centered cubic at room temperature and…
Periodic stacking of topologically trivial and non-trivial layers with opposite symmetry of the valence and conduction bands induces topological interface states that, in the strong coupling limit, hybridize both across the topological and…
Understanding the material parameters that control the superconducting transition temperature $T_c$ is a problem of fundamental importance. In many novel superconductors, phase fluctuations determine $T_c$, rather than the collapse of the…
We present self-energy corrected tight-binging(TB) parameters in the basis of the directed hybridised atomic orbitals constructed from first principles, for nano-diamonds as well as bulk diamond and zinc blende structures made of elements…
Correlated insulators and superconductivity have been observed in "magic-angle" twisted bilayer graphene, when the nearly flat bands close to neutrality are partially filled. While a momentum-space continuum model accurately describes these…
In order to provide a quantitatively accurate description of the band gap variation with sizes in various II-VI semiconductor nanocrystals, we make use of the recently reported tight-binding parametrization of the corresponding bulk…
Inspired by the discovery of superconductivity in moir\'e materials with isolated narrow bandwidth electronic bands, here we analyze critically the question of what is the maximum attainable $T_c$ in interacting flat-band systems. We focus…
Motivated by the newly-discovered intercalated iron chalcogenide superconductors, we construct a single orbital tight-binding model for topological insulators on the square lattice with a perfect vacancy superstructure. We find that such…
This paper analyzes a transient method for the characterization of low-resistance thermal interfaces of microelectronic packages. The transient method can yield additional information about the package not available with traditional static…
We present an analytical study of one-dimensional semiconductor superlattices in external electric fields, which may be time-dependent. A number of general results for the (quasi)energies and eigenstates are derived. An equation of motion…
We report on the electronic structure, density of states and transmission properties of the periodic one-dimensional Tight-Binding (TB) lattice with a single orbital per site and nearest-neighbor interactions, with a generic unit cell of…
We have developed the tight-binding theory to study electronic and optical properties of type-II heterostructures CA/C'A' grown from the zinc-blende semiconductors CA and C'A' along the crystallographic direction [001]. The sp^3s*…
In this work we present a tight-binding model that allows to describe with a minimal amount of parameters the band structure of exciton-polariton lattices. This model based on $s$ and $p$ non-orthogonal photonic orbitals faithfully…
Motivated by the high superconducting transition temperature of monolayer FeSe on SrTiO3, we propose a potential three-dimensional high-temperature superconductor superlattice FeSe-SrTiO3 and study its structural stability and electronic…
We theoretically investigate nonlinear ballistic thermoelectric transport in a superlattice-structured nanowire. By a special choice of nonuniform widths of the superlattice barriers - analogous to anti-reflection coating in optical systems…
In this Letter we present resonance properties in terahertz metamaterials consisting of a split-ring resonator array made from high temperature superconducting films. By varying the temperature, we observed efficient metamaterial resonance…
We perform a systematic \textit{ab initio} density functional study of the superconductivity, electronic and phononic band structures, electron-phonon coupling and elastic constants of all four possible structures of niobium nitride…