高压下铜的声子谱和弹性系数

马桂存 刘伟峰

马桂存, 刘伟峰. 高压下铜的声子谱和弹性系数[J]. 高压物理学报, 2008, 22(4): 337-342 . doi: 10.11858/gywlxb.2008.04.001
引用本文: 马桂存, 刘伟峰. 高压下铜的声子谱和弹性系数[J]. 高压物理学报, 2008, 22(4): 337-342 . doi: 10.11858/gywlxb.2008.04.001
MA Gui-Cun, LIU Wei-Feng. Phonon Spectrum and Elastic Constants of Copper at High Pressure[J]. Chinese Journal of High Pressure Physics, 2008, 22(4): 337-342 . doi: 10.11858/gywlxb.2008.04.001
Citation: MA Gui-Cun, LIU Wei-Feng. Phonon Spectrum and Elastic Constants of Copper at High Pressure[J]. Chinese Journal of High Pressure Physics, 2008, 22(4): 337-342 . doi: 10.11858/gywlxb.2008.04.001

高压下铜的声子谱和弹性系数

doi: 10.11858/gywlxb.2008.04.001
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    通讯作者:

    马桂存

Phonon Spectrum and Elastic Constants of Copper at High Pressure

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    Corresponding author: MA Gui-Cun
  • 摘要: 以Foiles、Baskes和Daw提出的嵌入原子势(EAM)为基础,并结合Vinet-Rose形式的普适物态方程,建立了金属铜原子间的EAM势。在此基础上,用EAM势和第一原理微扰理论方法计算了高压下铜的声子谱和弹性系数。通过适当地调整嵌入原子势参数,这两种方法几乎能够给出完全一致的结果。而且,晶格振动声子谱和比热的理论值与实验值符合得也非常好。

     

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出版历程
  • 收稿日期:  2008-01-09
  • 修回日期:  2008-09-23
  • 发布日期:  2008-12-05

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