Authors: Audrius Alkauskas, Alexis Baratoff, C. Bruder. (Submitted on 21 Feb From: Audrius Alkauskas [view email] [v1] Tue, 21 Feb A. Alkauskas*, A. Baratoff, and C. Bruder. Department of Physics and Astronomy, NCCR for Nanoscale Science, University of Basel, Klingelbergstrasse Semantic Scholar profile for Audrius Alkauskas, with fewer than 50 highly influential citations. Audrius Alkauskas, Alexis Baratoff, Christoph Bruder. We show.
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Figure 1 Color online Local adsorption geometries studied: First principles investigation of defect energy levels at semiconductor-oxide interfaces: New citations to this author.
Verified email at ftmc. Figure 2 Total electron density for the top site upper row and density differences for all four adsorption sites. The following articles are merged in Scholar.
Weyl fermions are observed in a solid. Abstract The mechanism of adsorption of the 1,4,5,8-naphthalene-tetracarboxylic-dianhydride molecule on the Ag surface is elucidated on the basis of extensive density functional theory calculations. Their combined citations are counted only for the first article.
Defect levels through hybrid density functionals: Articles Cited by Co-authors. First-principles calculations of luminescence spectrum line shapes for defects in semiconductors: Series I Physics Physique Fizika. Hybrid-functional calculations with plane-wave basis sets: For each bulk … More. For the first time, ordered polar molecules confined in monolayer-deep rectangular pits produced on an alkali halide surface by electron irradiation have been resolved brruder room temperature by … More.
We show that the Troullier-Martins scheme for constructing scalar-relativistic density functional theory DFT based pseudopotentials for plane-wave calculations can be applied with equal success in … More.
Condensed Matter > Materials Science
Contours of the total electron density left and of the electron density difference right in a plane 0. The mechanism of adsorption of the 1,4,5,8-naphthalene-tetracarboxylic-dianhydride molecule on the Ag surface is elucidated on the basis of extensive density functional theory calculations.
The system can’t perform the operation now. This molecule, together with its perylene counterpart 3,4,9,10—perylene-tetracarboxylic-dianhydride PTCDAare archetype organic semiconductors investigated barafoff over the past 20 years. Title Cited by Year Defect energy levels in density functional calculations: Meriles Professor of Physics Verified email at sci.
Sign up to receive regular email alerts from Physical Review B. We introduce a scheme for the calculation of band offsets and bagatoff energy levels at semiconductor-oxide interfaces.
Since the latter scheme partially … More. Get my own profile Cited by View all All Since Barattoff h-index 26 22 iindex 40 Nano Letters 4 11, Anderson Janotti University of Delaware Verified email at udel.
B 73— Published 13 April The electronic structure of … More. The adsorption energy in the most stable site is alkwuskas.
Audrius Alkauskas – Semantic Scholar
New articles related to this author’s research. We present a theoretical study of the broadening of defect luminescence bands due to vibronic coupling. For materials of varying band gap, we compare energy levels of atomically localized defects calculated within a semilocal and a hybrid density-functional scheme.
Band offsets at semiconductor-oxide interfaces are determined through a scheme based on hybrid density functionals, which incorporate a fraction alpha of Hartree-Fock exchange. Band alignments and defect levels in Brudwr gate stacks: Btuder energy levels in density functional calculations: Band-edge problem in the theoretical determination of defect energy levels: Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag My profile My library Metrics Alerts.
Skip to search form Skip to brurer content. Articles 1—20 Show more. Numerical proof is provided for the commonly used assumption that a multidimensional … More.
Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag Physical Review X 2, In this work we present theoretical calculations and analysis of the vibronic structure of the spin-triplet optical transition in diamond nitrogen-vacancy NV centres.