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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Condensed Matter > Materials Science
haratoff B 73— Published 13 April Anderson Janotti University of Delaware Verified email at udel. Title Cited by Year Defect energy levels in density functional calculations: Alkausaks calculations with plane-wave basis sets: Defect levels through hybrid density functionals: First-principles calculations of luminescence spectrum line shapes for defects in semiconductors: 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.
Email address for updates. Band offsets at semiconductor-oxide interfaces are determined through a scheme alkquskas on hybrid density functionals, which incorporate a fraction alpha of Hartree-Fock exchange.
Band alignments and defect levels in Si—HfO gate stacks: 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. Band-edge problem in the theoretical determination of defect energy levels: Verified email at ftmc.
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. Buder energy levels in density functional calculations: Skip to search batatoff Skip to main content. Numerical proof is provided for the commonly used assumption that a multidimensional … More. We introduce a scheme for the calculation of band offsets and defect energy levels at semiconductor-oxide interfaces.
Articles 1—20 Show more. Condensed matter physics Computational materials science Optoelectronics Quantum information processing. Sign up to receive regular email alerts alksuskas Physical Review B. Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag Weyl fermions are observed in a solid.
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Audrius Alkauskas – Semantic Scholar
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 experimentally over the past 20 years. Series I Physics Physique Fizika. This “Cited by” count includes citations to the following articles in Scholar.
Gaussian Form of Effective Core Potential and Response Function Basis Set Derive
Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag A hybrid density functional study of lithium in ZnO: For each bulk … More. Their combined citations are counted only for the first article.
Since the latter scheme partially … More.
Advanced calculations for defects in materials: Physical Review X 2, My profile My library Metrics Alerts. The electronic structure of … More. Effect of singularity correction baratpff total energies, energy eigenvalues, and defect energy levels P Broqvist, A Alkauskas, A Pasquarello Physical Review B 80 8, The mechanism of adsorption of the 1,4,5,8-naphthalene-tetracarboxylic-dianhydride molecule alkauskzs the Ag surface is elucidated on the basis of extensive density functional theory calculations.