相关论文: Atomic scale localization of Kohn-Sham wavefunctio…
We present a simple model to describe the lowest-subbands surface scattering in locally oxidized silicon nanowires grown in the [110] direction. To this end, we employ an atomistically scaled effective mass model projected from a…
4H silicon carbide (SiC) polytype is preferred over other SiC polytypes for high-power, high-voltage, and high-frequency applications due to its superior electrical, thermal, and structural characteristics. In this manuscript, we provide a…
Silicon spintronics requires injection of spin-polarized carriers into Si. An emerging approach is direct electrical injection from a ferromagnetic semiconductor - EuO being the prime choice. Functionality of the EuO/Si spin contact is…
We separate localization and interaction effects in epitaxial graphene devices grown on the C-face of a 4H-SiC substrate by analyzing the low temperature conductivities. Weak localization and antilocalization are extracted at low magnetic…
Recent investigations have found that the strongly constrained and appropriately normed (SCAN) meta-GGA exchange-correlation functional significantly over-magnetizes elemental Fe, Co, and Ni solids. For the paradigmatic case, bcc Fe, the…
We present energy filtered electron emission spectromicroscopy with spatial and wave-vector resolution on few layer epitaxial graphene on SiC$(000-1) grown by furnace annealing. Low energy electron microscopy shows that more than 80% of the…
We have investigated the electronic structure of Sr2IrO4 within the density-functional theory using the generalized gradient approximation while taking into account strong Coulomb correlations in the framework of the fully relativistic…
We investigate ionization at a solid-water interface in applied electric field. We attach an electrode to a dielectric film bearing silanol or carboxyl groups with an areal density $\Gamma_0$, where the degree of dissociation $\alpha$ is…
The polarized reflectivity of $\beta^{\prime\prime}$-(BEDO-TTF)$_5$[CsHg(SCN)$_4$]$_2$ is studied in the infrared range between 60 cm-1 and 6000 cm-1 from room temperature down to 10 K. Already at T=300 K a pseudogap in the optical…
The electronic properties of interfaces between two different solids can differ strikingly from those of the constituent materials. For instance, metallic conductivity, and even superconductivity, have been recently discovered at interfaces…
In ultra-thin two-dimensional (2-D) materials, the formation of ohmic contacts with top metallic layers is a challenging task that involves different processes than in bulk-like structures. Besides the Schottky barrier height, the transfer…
Using ACS-HST images to yield continuum subtracted photometric maps in H\alpha of the Sbc galaxy M51 and the dwarf irregular galaxy NGC 4449, we produced extensive (over 2000 regions for M51, over 200 regions for NGC4449) catalogues of…
The negatively charged silicon vacancy [V$_\text{Si}(-)$] in silicon carbide (SiC) is a paramagnetic and optically active defect in hexagonal SiC. V$_\text{Si}(-)$ defect possesses $S = 3/2$ spin with long spin coherence time and can be…
Interface states at a boundary between regions with different spin-orbit interactions (SOIs) in two-dimensional (2D) electron systems are investigated within the one-band effective mass method with generalized boundary conditions for…
Using long-distance lateral devices, spin transport near the interface of Si and its native oxide (SiO2) is studied by spin-valve measurements in an in-plane magnetic field and spin precession measurements in a perpendicular magnetic field…
In a two-dimensional electron gas, the electron-electron interaction generally becomes stronger at lower carrier densities and renormalizes the Fermi liquid parameters such as the effective mass of carriers. We combine experiment and theory…
We report on the investigation of the atomic and electronic structures of a clean Si(331)-(12$\times$1) surface using a first-principles approach with both plane wave and strictly localized basis sets. Starting from the surface structure…
The response of the Cu(111) Shockley surface state to an external electrical field is characterized by combining a density-functional theory calculation for a slab geometry with an analysis of the Kohn-Sham wavefunctions. Our analysis is…
Quantum wave function engineering of dopant-based Si nano-structures reveals new physics in the solid-state, and is expected to play a vital role in future nanoelectronics. Central to any fundamental understanding or application is the…
The ab initio simulation of charged interfaces in the framework of density functional theory (DFT) is heavily employed for the study of electrochemical energy conversion processes. The capacitance is the primary descriptor for the response…