Electronic structures of the diamond/boron-nitride interface

被引：13

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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