相关论文: Electronic and optical properties of InAs(110)
We report on the electronic properties of GaN$(1\bar{1}00)$ and $(0001)$ surfaces after three different and subsequent device processing compatible cleaning steps: HCl etching, annealing at $400$ $^\circ$C in N$_2$ atmosphere, and O$_2$…
In this work, we investigate the electronic and optical properties of the b-AsP quantum dots(QDs) and quantum rings(QRs) with different edge types in the presence of an in-plane electric field and a perpendicular magnetic field utilizing…
We report on study of electrical and structural properties of InSb/GaAs(001) heteroepitaxial layers in [110] and [1-10] crystallographic directions. Strong anisotropy of electron transport parameters measured at a low magnetic field has…
The interface between semiconductors and ion-conducting electrolytes is characterised by charge distributions and potential drops that vary substantially with the evolution of surface states. These surface states at the very interface to…
We analyze the electronic structure of the Os(0001) surface by means of first-principle calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface…
We explore the interplay of electron-electron correlations and surface effects in the prototypical correlated insulating material, NiO. In particular, we compute the electronic structure, magnetic properties, and surface energies of the…
Multi-million atom simulations are performed to study stacking-angle ($\theta$) dependent strain profiles, electronic structure, and polarization-resolved optical modes from [110]-tilted quantum dot stacks (QDSs). Our calculations reveal…
The electronic properties of the twisted InSe bilayer are studied by large-scale density functional theory. Spectral Function Unfolding reveals that the electronic structure of the twisted system can be described in terms of a combination…
Atomic models of quasi-one-dimensional 1D vanadium oxide nanostructures - nanotubes of various morphology (cylinder or scroll-like) formed by rolling (010) single layers of V2O5 are constructed and their electronic properties are studied…
First-principles calculations using the plane-wave pseudopotential method within the generalized gradient approximation method were performed to study the pressure dependence of the structural, elastic, electronic and optical properties for…
Angle-resolved photoelectron spectroscopy is used for a detailed study of the electronic structure of the topological insulator Bi2Se3. Nominally stoichiometric and calcium-doped samples were investigated. The pristine surface shows the…
We prove, by realistic microscopic calculations within the sp^3s^* Tight Binding method for GaAs (110) and (100), that the surface optical properties are not influenced by long-range crystal termination effects, and hence that they can be…
The electronic and energetic properties of the elementary building block, i.e. a five-membered atom ring (pentagon), of the Ge(110) surface was studied by scanning tunneling microscopy and spectroscopy at room temperature. The Ge(110)…
Inelastic light scattering is an intensively used tool in the study of electronic properties of solids. Triggered by the discovery of high temperature superconductivity in the cuprates and by new developments in instrumentation, light…
Photoemission (PES) and inverse-photoemission spectra (IPES) for the sulphur-passivated InP(001) surface are compared with theoretical predictions based on density-functional calculations. As a test case for our methods, we also present a…
Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…
We study the electronic properties of InAs/EuS/Al heterostructures as explored in a recent experiment [S. Vaitiekenas \emph{et al.}, Nat. Phys. (2020)], combining both spectroscopic results and microscopic device simulations. In particular,…
We report on a atomistic theory of electronic structure and optical properties of a single InAs quantum dot grown on InP patterned substrate. The spatial positioning of individual dots using InP nano-templates results in a quantum dot…
In this work, the effect of size and wetting layer on subband electronic envelop functions, eigenenergies, linear and nonlinear absorption coefficients and refractive indices of a dome-shaped InAs/GaAs quantum dot were investigated. In our…
BaAgAs is a ternary Dirac semimetal which can be tuned across a number of topological orders. In this study we have investigated the bulk physical properties of BaAgAs using density functional theory based computations. Most of the results…