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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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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 The adsorption energy in the most stable site is 0.

Defect energy levels in density functional calculations: We introduce a scheme for the calculation of band offsets and defect energy levels at semiconductor-oxide interfaces. Articles Cited by Co-authors. Alkauskad I Physics Physique Fizika.

Audrius Alkauskas

Since the latter scheme bxratoff … More. Numerical proof is provided for the commonly used assumption that a multidimensional … More. Figure 3 Color online Top: 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.

We show that the Barattoff 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 and analysis of the vibronic structure of the spin-triplet optical transition in diamond nitrogen-vacancy NV centres.

Verified email at ftmc. Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag By clicking accept or continuing to use the site, you agree to the terms rbuder in our Privacy PolicyTerms of Serviceand Dataset License. Band-edge problem in the theoretical determination of defect energy levels: The following articles are merged in Scholar.

Email address for updates. For each bulk … More.

Defect levels through hybrid density functionals: First-principles calculations of luminescence spectrum line shapes for defects in semiconductors: We present a theoretical study of the broadening of defect luminescence bands due to vibronic coupling.

Anderson Janotti University of Delaware Verified email at udel.

Condensed Matter > Materials Science

New articles by this author. B 73— Published 13 April 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.

Advanced calculations for defects in materials: Their combined citations are counted only for the first article. Our scheme is based on the use of realistic atomistic models of the interface … More.


Audrius Alkauskas – Google Scholar Citations

Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag First principles investigation of lakauskas energy levels at semiconductor-oxide interfaces: Figure 2 Total electron density for the top site upper row and density differences for all four adsorption sites. Sign up to receive regular email alerts from Physical Review B.

The electronic structure of … More. Nano Letters 4 11, Hybrid-functional calculations with plane-wave basis sets: New citations to this author. Articles 1—20 Show more. 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.

Physical Review X 2, Band alignments and defect levels in Si—HfO gate stacks: Contours of the total electron density left and of the electron density difference right in a plane 0. Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels P Broqvist, A Alkauskas, A Pasquarello Physical Review B 80 8,