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Ultrahigh-Pressure Equation of State for Copper at 0K |
| WANG Xiao-Lu1, GAO Xiang1, MA Gui-Cun2, YAN Jun2, ZHANG Wen-Qing3, LI Jia-Ming 1,4 |
| 1Department of Physics, Shanghai Key Laboratory for Laser Fabrication and Material Science, Shanghai Jiaotong University, Shanghai 2002402Institute of Applied Physics and Computational Mathematics, Beijing 1000883State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 2000504The Key Laboratory of Atomic and Molecular Nanosciences of the Ministry of Education, Department of Physics, Tsinghua University, Beijing 100084 |
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| Cite this article: |
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WANG Xiao-Lu, GAO Xiang, MA Gui-Cun et al 2008 Chin. Phys. Lett. 25 3350-3352 |
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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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Received: 22 February 2008
Published: 29 August 2008
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64.30.+t
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(General theory of equations of state and phase equilibria)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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