Ultrahigh-Pressure Equation of State for Copper at 0K |
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Authors: | WANG Xiao-Lu GAO Xiang MA Gui-Cun YAN Jun ZHANG Wen-Qing LI Jia-Ming |
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Affiliation: | [1]Department of Physics, Shanghai Key Laboratory for Laser Fabrication and Material Science, Shanghai Jiaotong University, Shanghai 200240; [2]Institute of Applied Physics and Computational Mathematics, Beijing 100088; [3]State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050; [4]The Key Laboratory of Atomic and Molecular Nanosciences of the Ministry of Education, Department of Physics, Tsinghua University, Beijing 100084 |
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Abstract: | Based on the first-principles all-electron full-potential augmented-plane-wave plus local orbital method, an equation of state (EOS) at 0K for copper up to 10000GPa (108bar) is presented. Our recommended EOS is in good agreement with the available experimental data. Furthermore, the agreement between theoretical EOS of hcp and fcc lattices at extremely compressed condition sets the foundation of spherical atom models for high density and high temperate plasmas. |
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Keywords: | 64.30.+t 64.10.+h 71.15.Mb |
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