相关论文: Tight-Binding model for semiconductor nanostructur…

We study the band structure of semiconductor nanowires with quantum dots embedded in them. The band structure is calculated using the Rayleigh-Ritz variational method. We consider quantum dots of two different types, one type is defined by…

We extend Expanded Wang-Landau (EWL) simulations beyond classical systems and develop the EWL method for systems modeled with a tight-binding Hamiltonian. We then apply the method to determine the partition function and thus all…

We study the two-body problem of the ultracold fermionic alkaline-earth (like) atoms in the electronic $^1$S$_0$ state ($g$-state) and $^3$P$_0$ state ($e$-state), which are confined in a quasi-one-dimensional (quasi-1D) tube. In addition,…

Carbon nanotubes are one-dimensional and very narrow. These obvious facts imply that under doping with boron and nitrogen, microscopic doping inhomogeneity is much more important than for bulk semiconductors. We consider the possibility of…

We study the tight-binding dispersion of the recently discovered superconductor K2Cr3As3, obtained from Wannier projection of Density Functional Theory (DFT) results. In order to establish quantitatively the actual degree of quasi-one…

A major challenge in developing topological superconductors for implementing topological quantum computing is their characterization and control. It has been proposed that a p-wave gapped topological superconductor can be fabricated with…

Recent theoretical and experimental works on carbon nanotubes and graphene samples have revealed that spin-orbit interactions, though customarily ignored in carbon-based materials, are more important and complex than it was thought. We…

For a wide class of noninteracting tight-binding models in one dimension we present an analytical solution for all scattering and edge states on a half-infinite system. Without assuming any symmetry constraints we consider models with…

Topological insulators (TIs) present a neoteric class of materials, which support delocalised, conducting surface states despite an insulating bulk. Due to their intriguing electronic properties, their optical properties have received…

The halide perovskites have truly emerged as efficient optoelectronic materials and show the promise of exhibiting nontrivial topological phases. Since the bandgap is the deterministic factor for these quantum phases, here we present a…

Charge density wave (CDW) ordering in NbSe3 and the structurally related quasi one-dimensional compounds is reconsidered. Since the modulated ground state is characterized by unstable nano-domains, the structural information obtained from…

We present a model for a topological quasicrystalline system which is suitable for realisation in cold-atom experiments. We define the model in terms of complex momentum-space couplings which break time-reversal symmetry (TRS), and detail…

Superconducting heterostructures with spin-active materials have emerged as promising platforms for engineering topological superconductors featuring Majorana bound states at surfaces, edges and vortices. Here we present a method for…

Understanding strongly correlated quantum materials, such as high $T_\textrm{c}$ superconductors, iron-based superconductors, and twisted bilayer graphene systems, remains to be one of the outstanding challenges in condensed matter physics.…

Band bending is a central concept in solid-state physics that arises from local variations in charge distribution especially near semiconductor interfaces and surfaces. Its precision measurement is vital in a variety of contexts from the…

We investigate the feasability of improving the semi-empirical density functional based tight-binding method (DFTB) through a general and transferable many-body repulsive potential for pure silicon using a common machine-learning framework.…

The proximity effect in semiconductor-superconductor nanowires is expected to generate an induced gap in the semiconductor. The magnitude of this induced gap, together with the semiconductor properties like the spin-orbit coupling and…

The implementation of a spin qubit in a quantum ring occupied by one or a few electrons is proposed. Quantum bit involves the Zeeman sublevels of the highest occupied orbital. Such a qubit can be initialized, addressed, manipulated, read…

We present a novel open-source Python framework called NanoNET (Nanoscale Non-equilibrium Electron Transport) for modelling electronic structure and transport. Our method is based on the tight-binding method and non-equilibrium Green's…

The sp3d5s*-spin-orbit-coupled atomistic tight-binding (TB) model is used for the electronic structure calculation of Si nanowires (NWs), self consistently coupled to a 2D Poisson equation, solved in the cross section of the NW. Upon…