Open AccessFinite-size supercell correction schemes for charged defect calculations
Author(s) -
HannuPekka Komsa,
Tapio T. Rantala,
Alfredo Pasquarello
Publication year - 2012
Publication title -
physical review. b, condensed matter and materials physics
Language(s) - Uncategorized
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.86.045112
Subject(s) - supercell , extrapolation , delocalized electron , charge (physics) , physics , statistical physics , crystallographic defect , series (stratigraphy) , molecular physics , condensed matter physics , quantum mechanics , mathematics , mathematical analysis , thunderstorm , meteorology , paleontology , biology