Open AccessDensity functional theory study of defects in cadmium telluride: a PBC and QM/MM comparison
Author(s) -
Marcos Casanova-Páez,
E. MenéndezProupin
Publication year - 2018
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1043/1/012043
Subject(s) - density functional theory , supercell , quasiparticle , ab initio , vacancy defect , tellurium , lead telluride , materials science , physics , condensed matter physics , quantum mechanics , doping , thunderstorm , superconductivity , meteorology , metallurgy