中文摘要：

原子价乐队偏移量拉紧，纵放松了 diamond/cubic 硼氮化物(c-BN )(110 ) 超点阵被飞机波浪密度调查功能的理论途径并且用是的所在地的核心电子参考精力水平。为拉紧的 diamond/c-BN 超点阵，约 1.50 eV 的原子价乐队偏移量在对用所有电子方法的那些的好同意。至于纵放松了超点阵，约 1.28 eV 的原子价乐队偏移量比拉紧的超点阵的小。为这的原因主要由于各向异性的紧张引起的原子价乐队最大值的裂口。

英文摘要：

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.