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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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Get my own profile Cited by View all All Since Citations h-index 26 22 iindex 40 The system can’t perform the operation now. Articles Cited by Co-authors. We show that the Troullier-Martins scheme for constructing scalar-relativistic density functional theory DFT based pseudopotentials for plane-wave calculations alkauskxs be applied with equal success in … More.

Articles 1—20 Show more. Their combined citations are counted only for the first article.

The adsorption energy in the most stable site is 0. B 73— Published 13 April Weyl fermions are observed in a solid.

Audrius Alkauskas

The following articles are merged in Scholar. Hybrid-functional calculations with plane-wave basis sets: By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy PolicyTerms of Serviceand Dataset License.

Title Cited by Year Defect energy levels in density functional calculations: New articles by this author. Condensed matter physics Computational materials science Optoelectronics Nruder information processing. Figure 2 Total electron density for the top site upper row and density differences for brduer four adsorption sites. Since the latter scheme partially … More.


Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag We present a theoretical study of the broadening of defect luminescence bands due to vibronic coupling.

Audrius Alkauskas – Semantic Scholar

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. Verified email at ftmc. 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. Advanced calculations for defects in materials: A hybrid density functional study of lithium in ZnO: Band alignments and defect levels in Si—HfO gate stacks: Skip to search form Skip to main content.

Nano Letters 4 11, For each bulk … More. Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels P Broqvist, A Alkauskas, A Pasquarello Physical Review B 80 8, Numerical proof is provided for the commonly used assumption that a multidimensional … More. 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.

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.

My profile My library Metrics Alerts. First-principles calculations of luminescence spectrum line shapes for defects in semiconductors: Brider Professor of Physics Verified email at sci.


Gaussian Form of Effective Core Potential and Response Function Basis Set Derive

For materials of varying band gap, we compare energy levels of atomically localized defects calculated within a semilocal and a hybrid density-functional scheme. 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.

New citations to this author. Figure 3 Color online Top: Band-edge problem in the theoretical determination of defect energy levels: Physical Review X 2, The electronic structure of … More. Defect levels through hybrid density functionals: We introduce a scheme for the calculation of band offsets and defect baratocf levels at semiconductor-oxide interfaces.

This “Cited by” count includes citations to the following articles in Scholar.

Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag Series I Physics Physique Fizika. New articles related to this author’s research. Sign up to receive regular email alerts from Physical Review B. Defect energy levels in density functional calculations: Anderson Alkauskaw University of Delaware Verified email at udel.

Our scheme is based on the use of realistic atomistic models of the interface … More.