STUDY OF THE ELECTRONIC-STRUCTURE AND THE ROLE OF GALLIUM 3D ELECTRONS IN GALLIUM NITRIDE

Authors
JHI SH IHM J
Citation
Sh. Jhi et J. Ihm, STUDY OF THE ELECTRONIC-STRUCTURE AND THE ROLE OF GALLIUM 3D ELECTRONS IN GALLIUM NITRIDE, Physica status solidi. b, Basic research, 191(2), 1995, pp. 387-394
Citations number
39
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physica status solidi. b, Basic research → ACNP
ISSN journal
03701972
Volume
191
Issue
2
Year of publication
1995
Pages
387 - 394
Database
ISI
SICI code
0370-1972(1995)191:2<387:SOTEAT>2.0.ZU;2-W
Abstract
Ab-initio pseudopotential total energy calculations are performed for gallium nitride in both wurtzite and zincblende structures. The 3d ele ctrons of gallium are treated as valence states and the behavior of th e 3d electrons and their influence on higher-lying valence states are investigated. It is found that the explicit treatment of the gallium 3 d electrons as interacting valence states rather than inert core state s systematically improves various structural and electronic properties .