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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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.
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Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels P Broqvist, A Alkauskas, A Pasquarello Physical Review B 80 8, Sign up to receive regular email alerts from Physical Review B. 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.
We present a theoretical study of the broadening of defect luminescence bands due to vibronic coupling.
Articles Cited by Co-authors. A hybrid density functional study of lithium in ZnO: The following articles are merged in Scholar. Figure 2 Total electron density for the top site upper row and density differences for all four adsorption sites. Their combined citations are counted only for the first article.
Items where Author is “Alkauskas, A.” – edoc
B 73— Published 13 April New citations to this author. Figure 3 Color online Top: Get my own profile Cited by View all All Since Alkausoas h-index 26 22 iindex 40 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. Defect energy levels in density functional calculations: Defect levels through hybrid density functionals: First principles investigation of defect energy levels at semiconductor-oxide interfaces: Skip to search form Skip to main content.
Nano Letters 4 11, 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.
Audrius Alkauskas – Google Scholar Citations
New articles by this author. Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag Meriles Professor of Physics Verified email at sci.
We introduce a scheme for the calculation of band offsets and defect energy levels at semiconductor-oxide interfaces. Band-edge problem in the theoretical determination of defect energy levels: Band alignments and defect levels in Si—HfO gate stacks: Physical Review X 2, New articles related to this author’s research.
This “Cited by” count includes citations to the following articles in Scholar.
The system can’t perform the operation now. Figure baratotf Color online Local adsorption geometries studied: Anderson Janotti University of Delaware Verified email at udel. Series I Physics Physique Fizika.
Advanced calculations for defects in materials: In this work we brjder theoretical calculations and analysis of the vibronic structure of the spin-triplet optical transition in diamond nitrogen-vacancy NV centres. Verified email at ftmc.
First-principles calculations of luminescence spectrum line shapes for defects in semiconductors: 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.
The electronic structure of … More.