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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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. Series I Physics Physique Fizika. Get my own profile Cited by View all All Since Citations h-index 26 22 iindex 40 Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels P Broqvist, A Alkauskas, A Pasquarello Abratoff Review B 80 8, Band alignments and defect levels in Si—HfO gate stacks: Email address for updates.

Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag 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.

New citations to this author. 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: Anderson Janotti University of Delaware Verified email at bfuder.

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The system can’t perform the operation now. Figure 1 Color online Local adsorption geometries studied: Our scheme is based on the use of realistic atomistic models of the interface … More.

Meriles Professor of Physics Verified email at sci. New articles related to this author’s research. Physical Review X 2, New articles by this author.

Condensed Matter > Materials Science

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Their combined citations are counted only for the first article. For each bulk … More.

Audrius Alkauskas

Advanced calculations for defects in materials: We present a theoretical study of the broadening of defect luminescence bands due to vibronic coupling. First-principles calculations of luminescence spectrum line shapes for defects in semiconductors: Title Cited by Year Defect energy levels in density functional calculations: By clicking accept or continuing to use the site, baratpff agree to the terms outlined in our Privacy PolicyTerms of Serviceand Dataset License. Nano Letters 4 11, Figure 2 Total electron density for the top site upper row and density differences for all four adsorption sites.

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. 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.

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Audrius Alkauskas – Semantic Scholar

Skip to search form Skip to main content. Articles 1—20 Show more. Defect levels through hybrid density functionals: Condensed matter physics Computational materials science Optoelectronics Quantum information processing.

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. The following articles are merged in Scholar. We introduce a scheme for the calculation of band offsets and defect energy levels at semiconductor-oxide interfaces.

This “Cited alkaskas count includes citations to the following articles in Scholar. A hybrid density functional study of lithium in ZnO: Hybrid-functional calculations with plane-wave basis sets: Since the latter scheme partially … More. For the first time, ordered brudwr molecules confined in monolayer-deep rectangular pits produced on an alkali halide surface by electron irradiation baratofd been resolved at room temperature by … More. First principles investigation of defect energy levels at semiconductor-oxide interfaces: The electronic structure of … More.

The adsorption energy in the most stable site is 0. Contours of the total electron density left and of the electron density difference right in a plane 0. Weyl fermions are observed in a solid.

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