高级搜索

高压下钒的结构相变研究

,  ,  , 

downloadPDF

上一篇

下一篇

刘海平, 曾祥华, 胡永金, 张萱. 2009: 高压下钒的结构相变研究, 原子核物理评论, 26(1): 59-63.
引用本文: 刘海平, 曾祥华, 胡永金, 张萱. 2009: 高压下钒的结构相变研究, 原子核物理评论, 26(1): 59-63.
shu
LIU Hai-ping, ZENG Xiang-hua, HU Yong-jin, ZHANG Xuan. 2009: Study on Structure Phase Transition of Vanadium under High Pressure, Nuclear Physics Review, 26(1): 59-63.
Citation: LIU Hai-ping, ZENG Xiang-hua, HU Yong-jin, ZHANG Xuan. 2009: Study on Structure Phase Transition of Vanadium under High Pressure, Nuclear Physics Review, 26(1): 59-63.
shu

高压下钒的结构相变研究

  • 扬州大学物理科学与技术学院,江苏,扬州,225002

Study on Structure Phase Transition of Vanadium under High Pressure

  • 摘要: 运用密度泛函理论研究了钒(Vanadium)在高压下的结构相变.通过对体心立方(bcc)结构的钒在不同压强下剪切弹性系数C_(44)的计算,发现当压强约95 GPa时C_(44)＜0,说明体心立方结构的钒在此条件下是不稳定的.进一步计算分析得到钒在高压下发生了从体心立方到菱面体(Rhombohedral)的结构相变,相变压强约70 GPa,这一结果与最近的实验结果符合.还首次发现当压强约380 GPa时,将会发生菱面体到体心立方的结构相变,这有待实验的验证.
    Abstract: We have studied the structure phase transition of Vanadium under high pressures by density function theory. A mechanical instability in the shear elastic constant (C_(44)) has been found for body-centred cubic(bcc) Vanadium at about 95 GPa, which indicates the existence of the structural transition. By calculation and analysis, we found that there was a bcc-rhombohedral structure transition at the 70 GPa, which is consistent with the experiment data. Our calculations also firstly gave that there was a rhombohedral-bcc structure transition at about 380 GPa, which needs to be verified by the experiment.
  • 加载中
  • 加载中
计量
  • 文章访问数:  336
  • HTML全文浏览数:  45
  • PDF下载数:  0
  • 施引文献:  0
出版历程
  • 刊出日期:  2009-03-20

高压下钒的结构相变研究

  • 扬州大学物理科学与技术学院,江苏,扬州,225002

摘要: 运用密度泛函理论研究了钒(Vanadium)在高压下的结构相变.通过对体心立方(bcc)结构的钒在不同压强下剪切弹性系数C_(44)的计算,发现当压强约95 GPa时C_(44)＜0,说明体心立方结构的钒在此条件下是不稳定的.进一步计算分析得到钒在高压下发生了从体心立方到菱面体(Rhombohedral)的结构相变,相变压强约70 GPa,这一结果与最近的实验结果符合.还首次发现当压强约380 GPa时,将会发生菱面体到体心立方的结构相变,这有待实验的验证.

English Abstract

    全文HTML

参考文献 (0)

目录

/

返回文章
返回