相关论文: Dielectric constant of gray Tin: A first-principle…

The control of recently observed spintronic effects in topological-insulator/ferromagnetic-metal (TI/FM) heterostructures is thwarted by the lack of understanding of band structure and spin texture around their interfaces. Here we combine…

Geometrical metastability, observed in superconducting type I tin flat strips, has been previously proposed as a principle for particle detection. The energy deposition of an incoming beta-particle induces the rupture of the metastability…

A true monolithic infrared photonics platform is within reach if strain and bandgap energy can be independently engineered in SiGeSn semiconductors. Herein, we investigate the structural and optoelectronic properties of a 1.5 {\mu}m-thick…

The recent discovery of a topological phase transition in IV-VI narrow-gap semiconductors has revitalized the decades-old interest in the bulk band inversion occurring in these materials. Here we systematically study the (001) surface…

We study the Green's function of a gauge invariant fermionic operator in a strongly coupled field theory at nonzero temperature and density using a dual gravity description. The gravity model contains a charged black hole in four…

The optical properties of silicon can be greatly tuned by applying strain and opening new perspectives, particularly in applications where infrared is key. In this work, we use a recent model for the indirect light absorption of silicon and…

IV-VI semiconductor SnSe has been known as the material with record high thermoelectric performance.The multiple close-to-degenerate valence bands in the electronic band structure has been one of the key factors contributing to the high…

Vertically stacked two-dimensional (2D) graphene-based van der Waals (vdW) heterostructures have emerged as the technological materials for electronic and optoelectronic device applications. In this regard, for the first time, we…

Despite the large number of theoretical III-V semiconductor studies reported every year, our atomistic understanding is still limited. The limitations of the theoretical approaches to yield accurate structural and electronic properties on…

Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…

We present a spin density functional theory (DFT) study for semiconducting ScN and Mn-substituted ScN. Their structural and magnetic properties have been investigated using the all electrons augmented spherical wave method (ASW) with a…

Ferroelectrics with suitable band gaps have recently attracted attention as candidate solar absorbing materials for photovoltaics. The inversion symmetry breaking may promote the separation of photo-excited carriers and allow voltages…

We study the dielectric properties of graphene in the presence of Rashba and intrinsic spin-orbit interactions in their most general form, i.e., for arbitrary frequency, wave vector, doping, and spin-orbit coupling (SOC) parameters. The…

Recently, porphyrin units have been attached to graphene nanoribbons (Por-GNR) enabling a multitude of possible structures. Here we report first principles calculations of two prototypical, experimentally feasible, Por-GNR hybrids, one of…

Extreme lattice-mismatched III-V nitrides, such as Bi-incorporated GaN, have been realized experimentally thanks to recent advances in epitaxial growth and characterization techniques. However, theoretical insights into defect-related…

We investigated the effect of spin polarization on the structural properties and gradient of electric field (EFG) on Sn, In, and Cd impurity in RSn$_3$ (R=Sm, Eu, Gd) and RIn$_3$ (R=Tm, Yb, Lu) compounds. The calculations were performed…

High energy-resolution fluorescence-detected X-ray absorption spectroscopy and density functional theory calculations were used to investigate the local bonding and electronic structure of Sc in epitaxial wurtzite-structure…

The wave nature of electrons in semiconductor nanostructures results in spatial interference effects similar to those exhibited by coherent light. The presence of spin-orbit coupling renders interference in spin space and in real space…

Research in semiconductor physics has advanced to the study of two-dimensional (2D) materials where the surface controls electronic transport. A scanning probe microscope (SPM) is an ideal tool to image electronic motion in these devices by…

The Dirac point and linear band structure in Graphene bestow it with remarkable electronic and optical properties, a subject of intense ongoing research. Explanations of high electronic mobility in graphene, often invoke the masslessness of…