Electronic structures of the diamond/boron-nitride interface

被引：12
|
作者：
Yamamoto, K
Kobayashi, K
Ando, T
Nishitani-Gamo, M
Souda, R
Sakaguchi, I
机构：
[1] Kanagawa Inst Technol, Atsugi, Kanagawa 24302, Japan
[2] Natl Inst Res Inorgan Mat, NIRIM, Tsukuba, Ibaraki 305, Japan
[3] Japan Sci & Technol Corp, JST, NIRIM, CREST, Ibaraki, Osaka, Japan
来源：
DIAMOND AND RELATED MATERIALS | 1998年 / 7卷 / 07期
关键词：
boron nitride; density functional calculations; diamond; heterojunction interface;
D O I：
10.1016/S0925-9635(98)00152-6
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
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. We find that the valence-band offset is 0.71 eV. The calculated formation energy suggests that the diamond/c-BN (110) heterojunction is thermodynamically unstable. (C) 1998 Elsevier Science S.A.
引用
收藏
页码：1021 / 1024
页数：4
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