ELECTRONIC-STRUCTURES OF THE DIAMOND BORON-NITRIDE INTERFACE/

Authors
YAMAMOTO K KOBAYASHI K ANDO T NISHITANIGAMO M SOUDA R SAKAGUCHI I
Citation
K. Yamamoto et al., ELECTRONIC-STRUCTURES OF THE DIAMOND BORON-NITRIDE INTERFACE/, DIAMOND AND RELATED MATERIALS, 7(7), 1998, pp. 1021-1024
Citations number
26
Categorie Soggetti
Material Science
Journal title
DIAMOND AND RELATED MATERIALS → ACNP
ISSN journal
09259635
Volume
7
Issue
7
Year of publication
1998
Pages
1021 - 1024
Database
ISI
SICI code
0925-9635(1998)7:7<1021:EOTDBI>2.0.ZU;2-8
Abstract
Electronic structures of the diamond/cubic-boron-nitride (c-BN) (110) heterojunction interface are investigated with use of first-principles norm-conserving pseudopotential calculations. Atomic positions at the interface are optimized by the first-principles molecular dynamics. W e find that the valence-band offset is 0.71 eV. The calculated formati on energy suggests that the diamond/c-BN (110) heterojunction is therm odynamically unstable. (C) 1998 Elsevier Science S.A.