钙钛矿结构材料Sr8CaRe3Cu4O24压力效应的研究

李圣爱; 王玮; 刘甦; 万贤纲

doi:10.11858/gywlxb.2009.01.005

钙钛矿结构材料Sr8CaRe3Cu4O24压力效应的研究

doi: 10.11858/gywlxb.2009.01.005

1.
东南大学物理系，江苏南京 211189；
2.
南京大学物理系，江苏南京 210093

详细信息

通讯作者:
王玮

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出版历程
- 收稿日期: 2007-12-24
- 修回日期: 2008-03-02
- 发布日期: 2009-02-15

Properties of Sr8CaRe3Cu4O24 with Perovskite Structure under Pressure

1.
Department of Physics, Southeast University, Nanjing 211189, China;
2.
Department of Physics, Nanjing University, Nanjing 210093, China

More Information

Corresponding author: WANG Wei

摘要

摘要: 基于密度泛函理论，运用局域轨道密度近似+哈伯德相互作用和平均场方法，研究了新型钙钛矿结构材料Sr8CaRe3Cu4O24在不同压强下的机械、电磁性质，并探讨该材料的居里温度TC随压强变化的规律。计算结果表明：TC随着压强的增加而升高，费米面附近能隙逐渐减小。最后通过海森伯模型对此作出了较为合理的解释。
- 压力效应 /
- 密度泛函理论 /
- 钙钛矿铜氧材料 /
- 平均场理论
Abstract: We have investigated the mechanism and electromagnetic properties of new compound Sr8CaRe3Cu4O24 under the hydrostatic pressure by the mean of local spin density approximation and mean field theory. Then we have discussed the internal mechanisms of the high magnetic transition temperature (TC) and the regularity of TC with the variety of hydrostatic pressure of this compound. Our calculation shows that the value of the magnetic transition temperature increases and the width of gap around Fermi level in DOS of this material descreases with the increasing of pressure. Our results show that a simple Heisenberg model and the theory of orbital order is suitable for this compound.
- pressure effect /
- density functional theory /
- perovskite cuprate /
- mean field theory

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参考文献(20)

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