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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.
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Keywords:
- spin dimer /
- orbital ordering /
- double-layered antiferromagnet K3Cu2F7
[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 物理学报 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 物理学报 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 物理学报 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 物理学报 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物理学报 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 物理学报 48 S169]
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[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 物理学报 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 物理学报 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 物理学报 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 物理学报 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物理学报 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 物理学报 48 S169]
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