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First-principles calculation of atomic structure, stability and electronic structure of TaB2/SiC interface

Cheng, G; Xiong, YQ; Zhou, H; He, YC; Zhang, KF; Cao, SZ; Wang, KL

Xiong, YQ (corresponding author), Lanzhou Inst Phys, Sci & Technol Vacuum Technol & Phys Lab, Lanzhou 730000, Peoples R China.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (4):

Abstract

The atomic structure, interface stability and electronic interaction of TaB2(0001)/SiC(111) interfaces were investigated by first principles calculati......

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