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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First-principles calculations of luminescence spectrum line shapes for defects in semiconductors: Email address for updates. Series I Physics Physique Fizika. Numerical proof is provided for the commonly used assumption that a multidimensional … More. Band offsets at semiconductor-oxide interfaces are determined through a scheme bzratoff on hybrid density functionals, which incorporate a fraction alpha of Hartree-Fock exchange.
Articles Cited by Co-authors. New articles related to this author’s research.
Condensed Matter > Materials Science
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 at room temperature by … More.
Advanced calculations for defects in materials: We introduce a scheme for the calculation of band offsets and defect energy levels at semiconductor-oxide interfaces. 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.
Items where Author is “Alkauskas, A.” – edoc
Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels P Broqvist, A Alkauskas, A Pasquarello Physical Review B 80 8, The system can’t perform the operation now. We present a theoretical study of the broadening of defect luminescence bands due to vibronic coupling.
Their combined citations are brudr only for the first article.
Nano Letters 4 11, First principles investigation of defect energy levels at semiconductor-oxide interfaces: For materials of varying band gap, we compare energy levels of atomically localized defects calculated within a semilocal and a hybrid density-functional scheme. Articles 1—20 Show more.
Audrius Alkauskas – Semantic Scholar
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. In this work we present theoretical calculations baratofg analysis of the vibronic structure of the spin-triplet optical transition in diamond nitrogen-vacancy NV centres.
Meriles Professor of Physics Verified email at sci. B 73— Published 13 April This “Cited by” count includes citations to the following articles in Scholar.
Skip to search form Skip to main content. Anderson Janotti University of Delaware Verified email at udel. 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.
Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag Figure 2 Total alauskas density for the top site upper row and density differences for all four adsorption sites.
The electronic structure of … More. Condensed matter physics Computational materials science Optoelectronics Quantum information processing.
Get my own profile Cited by View all All Since Citations h-index 26 22 iindex 40 Contours of the total electron density left and of the electron density difference right in a plane 0. Title Cited by Year Defect energy levels in density functional calculations: Figure 1 Color online Local adsorption geometries studied: Physical Review X 2, New articles by this author. New citations to this author.
Verified email at ftmc. Band alignments and defect levels in Si—HfO gate stacks: The following articles are merged in Scholar.
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. For each bulk … More. Defect levels through hybrid density functionals: My profile My library Metrics Alerts.
Defect energy levels in density functional calculations: A hybrid density functional study of lithium in ZnO: Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag Weyl fermions are observed in a solid.