Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session C20: First-Principles Modeling of Excited-State Phenomena in Materials II: Complex Materials and Defects
3:00 PM–6:00 PM,
Monday, March 15, 2021
Sponsoring
Units:
DCOMP DCP DMP
Chair: Vojtech Vlcek, University of California, Santa Barbara
Abstract: C20.00007 : Optical properties of qubits from many-body perturbation theory: the boron vacancy in 2D hBN*
4:36 PM–4:48 PM
Live
Presenter:
Francesco Libbi
(Theory and simulation of materials (THEOS), National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL)
Authors:
Francesco Libbi
(Theory and simulation of materials (THEOS), National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL)
Pedro Melo
(Chemistry Department, Debye Institute for Nanomaterials Science, Condensed Matter and Interfaces, Utrecht University)
Zeila Zanolli
(Chemistry Department, Debye Institute for Nanomaterials Science, Condensed Matter and Interfaces, Utrecht University)
Matthieu Verstraete
(nanomat/Q-mat/CESAM, Université de Liège)
Nicola Marzari
(Theory and simulation of materials (THEOS), National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL)
[1] A. Gottscholl et al., Nature Materials 19, 540-545 (2020)
[2] Y. Chen et al., ACS Appl. Mater. Interfaces 2020, 12, 22, 25464–25470
*European union’s Horizon 2020 research and innovation program under the Marie Sk lodowska-Curie grant agreement No 754354.
Simulation time was awarded by PRACE on Marconi at Cineca, Italy (project id. 2016163963)
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