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

作　　者：汤敏燕 徐闰 高永超 王林军 

机构地区：[1]School of Materials Science and Engineering, Shanghai University

出　　处：《Journal of Shanghai University(English Edition)》2011年第3期218-222,共5页上海大学学报（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant No.60877017);the Innovation Program of Shanghai Municipal Education Commission (Grant No.08YZ04);the Shanghai Leading Academic Discipline Project (Grant No.S30107)

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.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.

关 键 词：diamond/cubic boron-nitride（c-BN） SUPERLATTICE valence band offsets density functional theory core level 

分 类 号：O611.3[理学—无机化学]