Related papers: Electronic properties of bismuth nanostructures
The structure of thin terminated Bi(1 1 1) films of approximately 1 nm thickness is investigated from first principles. Our density functional theory calculations show that covalent bonds to the surface can change the orientation of the…
Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type Sb$_2$Te$_3$ films are presented. The thickness-dependent electrical conductivity and the…
The electronic band structure of Bi is calculated using state of the art electronic structure methods, including density functional theory and G$_0$W$_0$ quasiparticle approximations. The delicate ordering of states at the L point of the…
The topology of pure Bi is controversial because of its very small ($\sim$10 meV) band gap. Here we perform high-resolution angle-resolved photoelectron spectroscopy measurements systematically on 14$-$202 bilayers Bi films. Using…
We present ab initio electronic structure calculations based on density functional theory for the thermoelectric properties of Bi$_2$Te$_3$ films. Conductivity and thermopower are computed in the diffusive limit of transport based on the…
We propose a model for the description of the transport properties of metallic films on a large scale of slab thickness. This model is based on solving the linearized Boltzmann equation in relaxation-time approximation using {\it ab initio}…
The surface spin states for bismuth thin films were investigated using an $sp^3$ tight-binding model. The model explains the experimental observations using angle-resolved photoemission spectroscopy, including the Fermi surface, the band…
We investigate electronic and transport properties of bismuth (111) bilayer in the context of stability of its topological properties against different perturbations. The effects of spin-orbit coupling variations, geometry relaxation and an…
Relying on generalized-gradient and hybrid first-principles simulations, this work provides a complete characterization of the electronic properties of ZnO ultra-thin films, cut along the Body-Centered-Tetragonal(010), Cubane(100),…
Recent experiments suggest that Bi impurities segregate to form bilayer films on Ni and Cu grain boundaries but do not segregate in Fe. To explain these phenomena, we study the total energies of Bi films on transition metal (TM)…
Nickel/Bismuth (Ni/Bi) bilayers have recently attracted attention due to the occurrence of time-reversal symmetry breaking in the superconducting state. Here, we report on the structural, magnetic and electric characterization of thin film…
We calculate the electronic transport properties of a system which is irradiated by a homogeneous microwave field. Within a Boltzmann equation approach, a general expression for the conductivity tensor is derived and evaluated for a quasi…
The microscopic nature of an insulating state in the vicinity of a superconducting state, in the presence of disorder, is a hotly debated question. While the simplest scenario proposes that Coulomb interactions destroy the Cooper pairs at…
We have investigated the transport properties of topological insulator Bi2Se3 thin films grown using magnetron sputtering with an emphasis on understanding the behavior as a function of thickness. We show that thickness has a strong…
Recent experimental advances in surface science have made it possible to track the evolution of superconductivity in films as the thickness enters the nanoscale region where it is expected that the substrate plays an important role. Here,…
This work presents the electronic and transport properties of bilayer borophene nanoribbons. In the first part, a four-orbital tight-binding model is derived by fitting the \emph{ab initio} band structure. The transport properties of…
Recent high-resolution angle-resolved photoemission spectroscopy experiments have given a reason to believe that pure bismuth is topologically non-trivial semimetal. We derive an analytic theory of surface and size-quantized states of Dirac…
A recent experiment(Bollmann11) suggested that bismuth forms hexagonal close packed (HCP) films on the Ni(111) surface, of heights 3, 5 and 7 layers. A quantum size effect based on free electrons was proposed in explanation. To test this…
We study the transport properties of a quasi-two-dimensional diffusive normal metal film attached to a superconductor. We demonstrate that the properties of such films can essentially differ from those of quasi-one-dimensional systems: in…
We theoretically study the electronic structure and spin properties of one-dimensional nanostructures of the prototypical bulk topological insulator Bi$_2$Se$_3$. Realistic models of experimentally observed Bi$_2$Se$_3$ nanowires and…