首页|Valence band offsets of the strained and longitudinally relaxed diamond/c-BN superlattices

Valence band offsets of the strained and longitudinally relaxed diamond/c-BN superlattices

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The valence band offsets of the strained and longitudinally relaxed diamond/cubic boron-nitride (c-BN) (110)superlattice are investigated by the plane wave density functional theory approach and using the on-site core electron as a reference energy level. For the strained diamond/c-BN superlattice, the valence band offset of around 1.50 eV is in good agreement with those using all the electrons methods. As for the longitudinally relaxed superlattice, the valence band offset of around 1.28 eV is smaller than that of the strained superlattice. The reason for this is mainly due to the split of the valence band maximum caused by the anisotropic strain.

diamond/cubic boron-nitride(c-BN)superlatticevalence band offsetsdensity functional theorycore level

TANG Min-yan、XU Run、GAO Yong-chao、WANG Lin-jun

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School of Materials Science and Engineering, Shanghai University, Shanghai 200072, P. R. China

国家自然科学基金Innovation Program of Shanghai Municipal Education CommissionShanghai Leading Academic Discipline Project

6087701708YZ04S30107

2011

10.1007/s11741-011-0724-3

上海大学学报(英文版)
上海大学

上海大学学报(英文版)

影响因子：0.196
ISSN：1007-6417
年,卷(期)：2011.15(3)
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