Related papers: Transferable tight binding model for strained grou…
We study the electronic and optical properties of strained single-layer SnC in the density functional theory (DFT) and tight-binding models. We extract the hopping parameters tight-binding Hamiltonian for monolayer SnC by considering the…
Adding sufficient tensile strain to Ge can turn the material to a direct bandgap group IV semiconductor emitting in the mid-infrared wavelength range. However, highly strained-Ge cannot be directly grown on Si due to its large lattice…
We introduce a refined tight-binding (TB) model for Pt-based jacutingaite materials Pt$_{2}N$X$_{3}$, ($N$ = Zn, Cd, Hg; X = S, Se, Te), offering a detailed representation of the low-energy physics of its monolayers. This model incorporates…
Tight-binding (TB) molecular dynamics (MD) has emerged as a powerful method for investigating the atomic-scale structure of materials --- in particular the interplay between structural and electronic properties --- bridging the gap between…
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…
We apply a method based on a BCS-type approach to the extended Hubbard model to deal with the YBa_2Cu_3O_{7-\delta} superconductor family under pressure. The parameters of the tight-binding band are taken from experiments, and the coupling…
V-telluride superlattice thin films have shown promising performance for on-chip cooling devices. Recent experimental studies have indicated that device performance is limited by the metal/semiconductor electrical contacts. One challenge in…
In this project, we study the properties of a non-trivial topological system which exhibits localized edge states. In our study, we adress the Kitaev chain, a one-dimensional chain of atoms deposited on top of a p-wave superconductor that…
Particle transport and localization phenomena in condensed-matter systems can be modeled using a tight-binding lattice Hamiltonian. The ideal experimental emulation of such a model utilizes simultaneous, high-fidelity control and readout of…
A novel efficient method to calculate the scattering matrix (SM) of arbitrary tight-binding Hamiltonians is proposed, including cases with multiterminal structures. In particular, the SM of two kind of fundamental structures are given,…
Rapid design and development of the emergent ultra-wide bandgap semiconductors Ga$_2$O$_3$ and Al$_2$O$_3$ requires a compact model of their electronic structures, accurate over the broad energy range accessed in future high-field,…
The design of hybrid peptide-solid interfaces for nanotechnological applications such as biomolecular nanoarrays requires a deep understanding of the basic mechanisms of peptide binding and assembly at solid substrates. Here we show by…
Strain engineering has recently been explored to improve tunnel field-effect transistors (TFETs). Here, we report design and performance of strained ultra-thin-body (UTB) III-V TFETs by quantum transport simulations. It is found that for an…
We consider heterostructures obtained by stacking layers of two s-wave superconductors with significantly different coupling strengths, respectively in the weak- and strong-coupling regimes. The weak- and strong-coupling superconductors are…
A procedure to extend a superintegrable system into a new superintegrable one is systematically tested for the known systems on $\mathbb E^2$ and $\mathbb S^2$ and for a family of systems defined on constant curvature manifolds. The…
In this article we develop an effective medium model to characterize the electron wave propagation in graphene based nanostructures with an electrostatic and magnetic vector potentials imposed on their surface. We use a numerical algorithm…
High-quality topological insulator-superconductor (TI-SC) heterostructure with an atomically sharp and well-controlled interface is crucial for realizing topological superconductivity and topological quantum qubit. In particular, many…
The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…
We study spectral and transport properties of one-dimensional tight-binding $\mathcal{PT}$-symmetric chains with alternating couplings. Based on the transfer matrix method, we have analytically developed the expressions for the transmission…
We consider superconducting properties of a two-dimensional Dirac material such as graphene under strain that produces a flat band spectrum in the normal state. We show that in the superconducting state, such a model results in a highly…