Open AccessFirst-prinicples study of Li-N and Li-2N codoped p-type ZnO
Author(s) -
胡小颖,
田宏伟,
宋立军,
朱品文,
乔靓
Publication year - 2012
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.61.047102
Subject(s) - wurtzite crystal structure , materials science , density functional theory , fermi level , acceptor , valence (chemistry) , electronic structure , doping , condensed matter physics , zinc , optoelectronics , computational chemistry , physics , chemistry , quantum mechanics , electron , metallurgy
Using the density-functional theory, the electronic structures of pure and Li-N, Li-2N codoped wurtzite ZnO systems are explored. It is find that Li-N and Li-2N codoped wurtzite ZnO systems each cause the Fermi level to cross the top of the valence band and to form shallow acceptor level, which indicates that p-type ZnO system can be obtained by codoping Li and N. Moreover, the carrier concentration is enhanced in the Li-2N codoped system and this structure is more favorable for the formation of p-type ZnO.