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Ab initio investigation of pressure-induced structural transitions and electronic evolution of Th3N4
Authors:Yue Zhang  Yongliang Guo  Zhiguang Liao  Changdong Liu  Ping Huai  Zhiyuan Zhu
Affiliation:1. School of Physics and Electronic Sciences, East China Normal University, Shanghai, People's Republic of China;2. School of Science, Henan Institute of Technology, Xinxiang, People's Republic of China"ORCIDhttps://orcid.org/0000-0002-0477-9045;3. School of Physical Science and Technology, ShanghaiTech University, Shanghai, People's Republic of China;4. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, People's Republic of China;5. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, People's Republic of China
Abstract:
Keywords:Structure prediction  phase transitions  mechanical properties  electronic properties  first-principles calculations
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