Publikationsdatum:
2014-04-01
Beschreibung:
Author(s): Yanlu Li, W. G. Schmidt, and S. Sanna The formation energies and charge transition levels of the most relevant LiNbO3 intrinsic point defects, i.e., Nb antisites and Li as well Nb vacancies, are studied from first principles. Thereby isolated defects are modeled in the framework of the density functional theory with local and hybrid exc... [Phys. Rev. B 89, 094111] Published Mon Mar 31, 2014
Schlagwort(e):
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Digitale ISSN:
1095-3795
Thema:
Physik