双层反铁磁体K3Cu2F7 中轨道序驱动的自旋二聚化

陈东猛; 刘大勇

doi:10.7498/aps.59.7350

摘要

基于自旋-轨道-晶格Hamilton量,应用团簇自洽场方法,研究了双层钙钛矿结构材料K3Cu2F7基态的晶格、磁及轨道结构,发现近孤立的双层的对称破缺和Jahn-Teller晶格畸变使得Cu2+离子在每层内交替占据 z2-x2〉/ z2-y2〉轨道,进而导致双层的层间表现为强的反铁磁耦合,层内为弱的铁磁耦合.强反铁磁耦合导致层间

关键词:

Magnetic, orbital and lattice structures of K3Cu2F7 are determined by cluster self-consistent field approach based on the spin-orbital-lattice Hamiltonian. Symmetry breaking and Jahn-Teller distortion of approximately isolated bilayer cause Cu2+ ions alternatively to occupy  z2-x2〉/ z2-y2〉 orbitals in each layer. This orbital ordering occupation leads to the dominant intrabilayer antiferromagnetic coupling, which favors spin dimerization, and the weak intralayer ferromagnetic coupling. Due to absence of spin frustration resulting from the intralayer orbital arrangement and the weak ferromagnetic coupling satisfing Goodenough-Kanamori-Anderson (GKA)rule, the ground state is a stable spin dimer state. The spin singlet-triplet excitation gap obtained by bond-operator mean field method is about 326 K, which is close to the experimental value of 400 K. The present theory is also applicable to explaining the formation of spin dimer state in Cs3Cu2Cl4Br3.

Keywords:

作者及机构信息

陈东猛²,
刘大勇¹

(1)中国科学院固体物理研究所材料物理重点实验室,合肥 230031; (2)中国石油大学(华东)物理科学与技术学院,东营 257061

基金项目: 国家自然科学基金(批准号:10947125)和中国石油大学(华东)科研启动基金(批准号:Y081815)资助的课题.

Authors and contacts

Liu Da-Yong²,
Chen Dong-Meng¹

(1)College of Physical Science and Technology, China University of Petroleum, Dongying 257061, China; (2)Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China

参考文献

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施引文献

[1]	Giamarchi T, Rueeggg C, Tchernyshyov O 2008 Nat. Phys. 4 198
[2]	Aczel A A, Kohama Y, Marcenat, Weickert F, Jaime M, Ayala-Valenzuela O E, McDonald R D, Luke G M 2009 Phys. Rev. Lett. 103 207203
[3]	Aczel A A, Jaime M, Ninios K, Chan H B, Balicas L, McDonald R D, Selesnic S D, Dabkowska H A, Luke G M 2009 Phys. Rev. B 79 100409(R)
[4]	Tokura Y, Nagaosa N 2000 Science 288 462
[5]	Shu L, Chen Y G, Chen H 2004 Acta Phys. Sin. 53 902 (in Chinese) [殳蕾、陈宇光、陈鸿 2005 53 902]
[6]	Xu J, Wang Z G, Shi Y L, Chen Y G, Chen H 2004 Acta Phys. Sin. 53 3882 (in Chinese) [许靖、王志国、石云龙、陈宇光、陈鸿 2004 53 3882]
[7]	Liu H L, Wang Z G, Chen Y G, Shi Y L, Chen H 2005 Acta Phys. Ain. 54 2329 (in Chinese) [刘海莲、王志国、陈宇光、石云龙、陈鸿 2005 54 2329] 〖8] Liu H L, Wang Z G, Yang C Q, Shi Y L 2006 Acta Phys. Sin. 55 3688 (in Chinese) [刘海莲、王志国、杨成全、石云龙 2006 55 3688]
[8]	Ming X, Fan H G, Hu F, Wang C Z, Meng X, Huang Z F, Chen G 2008 Acta Phys. Sin. 57 2368 (in Chinese) [明星、范厚刚、胡方、王春忠、孟醒、黄祖飞、陈岗 2008 57 2368]
[9]	Jackeli G, Ivanow D A 2007 Phys. Rev. B 76 132407
[10]	Blundell S J, Lancaster T, Baker P J, Hayes W, Pratt F L, Atake T, Rana D S, Malik S K 2008 Phys. Rev. B 77 094424
[11]	Chapon L C, Stock C, Radaelli P G, Martin C 2008 arXiv:0807.0877
[12]	Yamada F, Ono T, Tanaka H, Yamaura J 2007 J. Phys. Soc. Jpn. 76 014708
[13]	Manaka H, Miyashita Y, Watanabe Y, Masuda T 2007 J. Phys. Soc. Jpn. 76 044710
[14]	Quintero-Castro D L, Lake B, Wheeler E M, Islam A T M N, Guidi T, Rule K C, Izaola Z, Russina M, Kiefer K, Skourski Y 2010 Phys. Rev. B 81 014415
[15]	Hirakawa K, Ikeda H 1973 J. Phys. Soc. Jpn. 35 1328
[16]	Castellani C, Natoli C R, Ranninger J 1978 Phys. Rev. B 18 4945
[17]	Binggeli N, Altarelli M 2004 Phys. Rev. B 70 085517
[18]	Liechtenstein A I, Anisimov V I, Zaanen J 1995 Phys. Rev. B 52 R5467
[19]	Kanamori J 1960 J. Appl. Phys. 31 14S
[20]	Van Vleck J H 1939 J. Chem. Phys. 7 72
[21]	Zou L J, Liu H Q, Zheng Q Q 1998 J. Appl. Phys. 83 7363
[22]	Chen D M, Zou L J 2007 Int. J. Mod. Phys. B 21 691
[23]	Liu D Y, Lu F, Zou L J 2009 J. Phys. : Condens. Matter 21 026014
[24]	Liu D Y, Chen D M, Zou L J 2009 Chin. Phys. B 18 4497
[25]	Herdtweck V E, Babel D 1981 Z. Anorg. Allg. Chem. 474 113
[26]	Goodenough J B 1958 Phys. Chem. Solids 6 287
[27]	Sachdev S, Bhatt R 1990 Phys. Rev. B 41 9323
[28]	Matsushita Y, Gelfand M P, Ishii C 1998 J. Phys. Soc. Jpn. 68 247
[29]	Yu D K, Gu Q, Wang H T, Shen J L 1999 Acta Phys. Sin. 48 S169 (in Chinese) [于登科、顾强、汪汉廷、沈觉涟 1999 48 S169]

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