Effects of anharmonic lattice distortion on orbital and magnetic orderings and in KcuF_3

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	Effects of anharmonic lattice distortion on orbital and magnetic orderings and in KcuF_3
其他题名	Effects of anharmonic lattice distortion on orbital and magnetic orderings and in KcuF_3
	Liu DaYong1 ; Chen DongMeng 1; Zou LiangJian1
	2009
发表期刊	Chinese Physics. B
ISSN	1674-1056
摘要	Lattice, magnetic and orbital structures in KCuF_3 are self-consistently determined by our cluster self-consistent field approach based on a spin-orbital-lattice Hamiltonian. Two stable structures are obtained and found to be degenerate, which confirms the presence of the coexistent phases observed experimentally. We clearly show that due to the inherent frustration, the ground state of the system only with the superexchange interaction is degenerate; while the Jahn-Teller distortion, especially the anharmonic effect, stabilizes the orbital ordered phase at about 23% in the x~2-y~2 or bit and at 77% in the 3z~2-r~2 orbit. Meanwhile the magnetic moment of Cu is considerably reduced to 0.56μB, and magnetic coupling strengths are highly anisotropic, J_z/J_(xy)≈18.These resets are in good agreement with the experiments, implying that the anharmonic Jahn-Teller effect plays an essential role in stabilising the orbital ordered ground state of KCuF_3.
其他摘要	Lattice, magnetic and orbital structures in KCuF_3 are self-consistently determined by our cluster self-consistent field approach based on a spin-orbital-lattice Hamiltonian. Two stable structures are obtained and found to be degenerate, which confirms the presence of the coexistent phases observed experimentally. We clearly show that due to the inherent frustration, the ground state of the system only with the superexchange interaction is degenerate; while the Jahn-Teller distortion, especially the anharmonic effect, stabilizes the orbital ordered phase at about 23% in the x~2-y~2 or bit and at 77% in the 3z~2-r~2 orbit. Meanwhile the magnetic moment of Cu is considerably reduced to 0.56μB, and magnetic coupling strengths are highly anisotropic, J_z/J_(xy)≈18.These resets are in good agreement with the experiments, implying that the anharmonic Jahn-Teller effect plays an essential role in stabilising the orbital ordered ground state of KCuF_3.
关键词	orbital ordering KCuF_3 Jahn-Teller effect anharmonic lattice distortion
收录类别	CSCD
语种	英语
CSCD记录号	CSCD:3680960
引用统计	被引频次：5[CSCD] [CSCD记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/49232
专题	中国科学院合肥物质科学研究院
作者单位	1.Institute of Solid State Physics, Chinese Academy of Sciences 2.Institute of Solid State Physics, Chinese Academy of Sciences 3.Institute of Solid State Physics, Chinese Academy of Sciences
推荐引用方式 GB/T 7714	Liu DaYong,Chen DongMeng,Zou LiangJian. Effects of anharmonic lattice distortion on orbital and magnetic orderings and in KcuF_3[J]. Chinese Physics. B,2009,18.
APA	Liu DaYong,Chen DongMeng,&Zou LiangJian.(2009).Effects of anharmonic lattice distortion on orbital and magnetic orderings and in KcuF_3.Chinese Physics. B,18.
MLA	Liu DaYong,et al."Effects of anharmonic lattice distortion on orbital and magnetic orderings and in KcuF_3".Chinese Physics. B 18(2009).