Quantum-chemical study of the structure and properties of defects involving germanium in amorphous seleniumстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The structure, stability, and electronic structure of defects involving Ge in a-Se have been studied using ab initio calculations including electron correlation. The types of the most stable structures involving the Ge atom have been determined. Possible mechanisms of the transformation of the continuous random network involving dopant atoms are considered. Model IR spectra are constructed for Ge-containing metastable configurations that can occur in a-Se doped with germanium.