First-Principles Molecular Dynamics Simulation for Calcium under High-Pressure: Thermodynamic Effect on Simple Cubic Structure
First-Principles Molecular Dynamics Simulation for Calcium under High-Pressure: Thermodynamic Effect on Simple Cubic Structure
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DOI：
10.1143/jpsj.81.124601
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发表时间：
2012-11
影响因子：
1.7
通讯作者：
T. Ishikawa;H. Nagara;N. Suzuki;K. Shimizu
中科院分区：
文献类型：
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作者：
T. Ishikawa;H. Nagara;N. Suzuki;K. Shimizu
采用第一性原理分子动力学方法，在压力为40 GPa，温度为300和10 K的条件下，研究了钙中简单立方相的晶体结构.为了朝鲜...
The crystal structure of the simple cubic phase in calcium is investigated by first-principles molecular dynamics simulations at pressure of 40 GPa and at temperatures of 300 and 10 K. For the k -p...