First-principles calculations of defects and electron-phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes
First-principles calculations of defects and electron-phonon interactions play a critical role in the design and optimization of materials for electronic and optoelectronic devices. The late Audrius Alkauskas made seminal contributions to developing rigorous first-principles methodologies for the computation of defects and electron-phonon interactions, especially in the context of understanding the fundamental mechanisms of carrier recombination in semiconductors. Alkauskas was also a pioneer in the field of quantum defects, helping to build a first-principles understanding of the prototype nitrogen-vacancy center in diamond, as well as identifying novel defects. Here, we describe the important contributions made by Alkauskas and his collaborators and outline fruitful research directions that Alkauskas would have been keen to pursue. Audrius Alkauskas' scientific achievements and insights highlighted in this article will inspire and guide future developments and advances in the field. (c) 2024 Author(s).
Détails
Titre
First-principles calculations of defects and electron-phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes
Grant
National Natural Science Foundation of China10.13039/501100001809: 52172136 National Natural Science Foundation of China: DE-SC0010689 U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES): 325573 Research Council of Norway through the Research Project QuTe: DMR-2314050 National Science Foundation (NSF) Office of Naval Research through the Naval Research Laboratory's Base Research Program: DMR-2237674 NSF Simons Foundation: 2022-2.1.1-NL-2022-0000 National Research, Development and Innovation Office of Hungary (NKFIH) in Hungary for the Quantum Information National Laboratory EU QuantERA II MAESTRO project: 101046911 European Commission: DE-SC0012704 U.S. DOE, Office of Science, National Quantum Information Science Research Centers, Co-design Center for Quantum Advantage (C2QA)