B
B. Van Troeye
Researcher at Université catholique de Louvain
Publications - 3
Citations - 652
B. Van Troeye is an academic researcher from Université catholique de Louvain. The author has contributed to research in topics: Dielectric & Density functional theory. The author has an hindex of 2, co-authored 2 publications receiving 510 citations.
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Recent developments in the ABINIT software package
Xavier Gonze,F. Jollet,F. Abreu Araujo,Donat J. Adams,Bernard Amadon,Thomas Applencourt,Christophe Audouze,Jean-Michel Beuken,J. Bieder,A. Bokhanchuk,Eric Bousquet,Fabien Bruneval,Damien Caliste,Michel Côté,F. Dahm,F Da Pieve,M. Delaveau,M. Di Gennaro,Boris Dorado,C. Espejo,G. Geneste,Luigi Genovese,A. Gerossier,Matteo Giantomassi,Yannick Gillet,D. R. Hamann,L. He,Gérald Jomard,J. Laflamme Janssen,S. Le Roux,Antoine Levitt,Aurélien Lherbier,Fan Liu,Igor Lukačević,A. Martin,Carlos A. Martins,Micael J. T. Oliveira,Samuel Poncé,Yann Pouillon,Tonatiuh Rangel,Gian-Marco Rignanese,Alessandra Romero,Bruno Rousseau,Oleg Rubel,A.A. Shukri,Martin Stankovski,Marc Torrent,M. J. van Setten,B. Van Troeye,Matthieu J. Verstraete,David Waroquiers,Julia Wiktor,Bin Xu,A. Zhou,Josef W. Zwanziger +54 more
TL;DR: The present paper aims to describe the new capabilities of ABINIT that have been developed since 2009, which include new physical and technical features that allow electronic structure calculations impossible to carry out in the previous versions.
Journal ArticleDOI
First-principles characterization of the electronic and optical properties of hexagonal LiIO3
TL;DR: In this article, the structural, electronic, vibrational, dielectric, piezoelectric and optical properties of hexagonal lithium iodate, including some nonlinear response properties, were investigated within the density functional theory framework.
Dilute Rhenium Doping and its Impact on Intrinsic Defects in MoS2
Riccardo Torsi,Kyle T. Munson,Rahul Pendurthi,Esteban A. Marques,B. Van Troeye,L. Huberich,Bruno Schuler,Maxwell A. Feidler,KE Wang,Geoffrey Pourtois,Saptarshi Das,John B. Asbury,Yu-Chuan Lin,Joshua A. Robinson Department of Materials Science,Engineering,The Pennsylvania State University,D. Chemistry,Department of Materials Science,Mechanics,Imec,Leuven,Department of Molecular Design,Synthesis,K. Van Leuven,N. Laboratory,Empa - Swiss Federal Laboratories for Materials Science,Technology,M. R. Institute,D. Physics +28 more
TL;DR: In this article , the authors demonstrate substitutional Rhenium doping of MoS 2 monolayers with controllable concentrations down to 500 parts-per-million (ppm) by metal-organic chemical vapor deposition.