First-principles study of the structural stability and electronic structures of TaN
作者： C. L. Cao , Z. F. Hou , G. Yuan
关键词: Pseudopotential 、 Crystal structure 、 Bulk modulus 、 Structural stability 、 Electronic structure 、 Phase (matter) 、 Pseudogap 、 Fermi level 、 Chemistry 、 Condensed matter physics
摘要: … three decades due to their unique mechanical, electrical, and chemical properties. They are used … Our results show CoSn is the calculated ground-state structure of TaN among the five …
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