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Doping Properties of Ordered‐Vacancy Ga 2 Se 3 Compounds. A Theoretical Study
Author(s) -
Ishikawa M.,
Nakayama T.
Publication year - 2002
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200201)229:1<301::aid-pssb301>3.0.co;2-j
Subject(s) - pseudopotential , doping , dopant , valence (chemistry) , vacancy defect , atom (system on chip) , materials science , density functional theory , electronic structure , atomic physics , computational chemistry , molecular physics , condensed matter physics , crystallography , chemistry , physics , optoelectronics , computer science , organic chemistry , embedded system
Electronic structures of p‐doped Ga 2 Se 3 are calculated by using the first‐principles pseudopotential total‐energy method in the local density approximation. It is found that doped V atoms have the tendency to locate at Se sites and P atom is the suitable p‐type dopant among various V atoms. Doping with P imports holes into the top of valence bands and induces the one‐dimensional conductive property for Ga 2 Se 3 .