167 citations · 318 across the 5 of their papers we have counts for
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Band Structure Engineering of Multinary Chalcogenide Topological Insulators
Shiyou Chen, X. G. Gong, Chun-Gang Duan +6
Topological insulators (TIs) have been found in strained binary HgTe and ternary I-III-VI2 chalcopyrite compounds such as CuTlSe2 which have inverted band structures. However, the…
Potential super-hard Osmium di-nitride with fluorite structure: First-principles calculations
Chang-Zeng Fan, Song-Yan Zeng, Li-Xin Li +4
We have performed systematic first-principles calculations on di-carbide, -nitride, -oxide and -boride of platinum and osmium with the fluorite structure. It is found that only PtN…
Low compressible noble metal carbides with rock-salt structure: ab initio total energy calculations of the elastic stability
Chang-Zeng Fan, Song-Yan Zeng, Zai-Ji Zhan +4
We have systematically studied the mechanical stability of all noble metal carbides with the rock-salt structure by calculating their elastic constants within the density function…