| Cs2AgF4中Jahn-Teller畸变导致的铁磁态和轨道序 |
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| 引用本文： | 张敏平,王广涛.Cs2AgF4中Jahn-Teller畸变导致的铁磁态和轨道序[J].低温物理学报,2011(4):290-296. |
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| 作者姓名： | 张敏平 王广涛 |
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| 作者单位： | 河南师范大学物理系信息与工程学院; |
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| 摘 要： | 利用基于密度泛涵的平面波赝势方法,研究了Cs2AgF4中Jahn-Teller（JT）畸变导致的轨道有序,以及铁磁态存在的机制.通过比较各种磁性态的总能和原胞实空间的电荷分布,我们发现：因为在a-b平面内Ag-F键长存在长短不同的交替变换,所以Ag的4d电子会交替占据dz2-x2和dz2-y2轨道.这种相互正交的轨道有...
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| 关 键 词： | 第一原理计算 磁性 超导 |
THE JAHN-TELLER DISTORTION INDUCED FERROMAGNETISM AND ORBITAL ORDER IN Cs_2AgF_4 |
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| ZHANG Min-ping WANG Guang-tao.THE JAHN-TELLER DISTORTION INDUCED FERROMAGNETISM AND ORBITAL ORDER IN Cs_2AgF_4[J].Chinese Journal of Low Temperature Physics,2011(4):290-296. |
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| Authors: | ZHANG Min-ping WANG Guang-tao |
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| Institution: | ZHANG Min-ping WANG Guang-tao Department of Physics,Henan Normal University,Henan Xinxiang 453002 |
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| Abstract: | The Jahn-Teller distortion induced orbital order and optical-conductivity in Cs2AgF4 are investigated by the first-principle calculations.Cs2AgF4 contains 4d9 Ag2+,similar to 3d9 Cu2+ of La2CuO4.Although Cs2AgF4 is anisoelectronic analogue of La2CuO4,their magnetism are radically different: La2CuO4 is antiferromagnetism(AFM),while Cs2AgF4 is proposed to be ferromagnetism(FM) based on recent neutron scattering data.The great difference can be understood from the JT distortions in the AgF6 octahedron,which fa... |
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| Keywords: | Ab initio calculations magnetic superconductivity |
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