Long-range superexchange in Cu2A2O7 (A= P, As, V) as a key element of the microscopic magnetic model

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 9, 2011, Pages

  Janson, O ^a   Tsirlin, A A ^a   Sichelschmidt, J ^a   Skourski, Y ^b   Weickert, F ^a,b,c   Rosner, H ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

^b INSTITUTE OF ION BEAM PHYSICS AND MATERIALS RESEARCH   (Germany)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961085791     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.094435     Document Type: Article

References (52)

1. S. T. Bramwell, S. R. Giblin, S. Calder, R. Aldus, D. Prabhakaran, and T. Fennell, Nature (London) NATUAS 0028-0836 10.1038/nature08500 461, 956 (2009).
2. C. Castelnovo, R. Moessner, and S. L. Sondhi, Nature (London) NATUAS 0028-0836 10.1038/nature06433 451, 42 (2008).
3. A. W. Garrett, S. E. Nagler, D. A. Tennant, B. C. Sales, and T. Barnes, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.745 79, 745 (1997).
4. T. Yamauchi, Y. Narumi, J. Kikuchi, Y. Ueda, K. Tatani, T. C. Kobayashi, K. Kindo, and K. Motoya, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 83.3729 83, 3729 (1999).
5. T. Masuda, A. Zheludev, A. Bush, M. Markina, and A. Vasiliev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.177201 92, 177201 (2004);
6. S.-L. Drechsler, J. Málek, J. Richter, A. S. Moskvin, A. A. Gippius, and H. Rosner, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 94.039705 94, 039705 (2005); (Pubitemid 40607342)
7. T. Masuda, A. Zheludev, A. Bush, M. Markina, and A. Vasiliev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.039706 94, 039706 (2005).
8. A. A. Gippius, E. N. Morozova, A. S. Moskvin, A. V. Zalessky, A. A. Bush, M. Baenitz, H. Rosner, and S.-L. Drechsler, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.70.020406 70, 020406 (2004).
9. T. Masuda, A. Zheludev, B. Roessli, A. Bush, M. Markina, and A. Vasiliev, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.72.014405 72, 014405 (2005).
10. A. A. Tsirlin and H. Rosner, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.79.214416 79, 214416 (2009);
11. C.-Y. Ren and C. Cheng, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.82.024404 82, 024404 (2010);
12. A. A. Tsirlin, A. M. Abakumov, G. Van Tendeloo, and H. Rosner, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.82.054107 82, 054107 (2010);
13. C. Tassel, J. Kang, C. Lee, O. Hernandez, Y. Qiu, W. Paulus, E. Collet, B. Lake, T. Guidi, M.-H. Whangbo, C. Ritter, H. Kageyama, and S.-H. Lee, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.167205 105, 167205 (2010).
14. J. B. Goodenough, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.564 100, 564 (1955);
15. J. Kanamori, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(59) 90061-7 10, 87 (1959);
16. P. W. Anderson, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.79.350 79, 350 (1950).
17. Y. Tsujimoto, A. Kitada, H. Kageyama, M. Nishi, Y. Narumi, K. Kindo, Y. Kiuchi, Y. Ueda, Y. J. Uemura, Y. Ajiro, and K. Yoshimura, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.79.014709 79, 014709 (2010).
18. O. Janson, J. Richter, and H. Rosner, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.106403 101, 106403 (2008).
19. M. Yashima and R. O. Suzuki, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.79.125201 79, 125201 (2009).
20. A. A. Tsirlin, O. Janson, and H. Rosner, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.82.144416 82, 144416 (2010).
21. K. Pogorzelec-Glaser, A. Pietraszko, B. Hilczer, and M. Połomska, Phase Transit. PHTRDP 0141-1594 10.1080/01411590600892450 79, 535 (2006). (Pubitemid 44494863)
22. J. A. R. Stiles and C. V. Stager, Can. J. Phys. 50, 3079 (1972).
23. J. A. R. Stiles and C. V. Stager, Can. J. Phys. 51, 87 (1973).
24. A. A. Tsirlin, B. Schmidt, Y. Skourski, R. Nath, C. Geibel, and H. Rosner, Phys. Rev. B PHTRDP 1098-0121 10.1103/PhysRevB.80.132407 80, 132407 (2009).
25. K. Koepernik and H. Eschrig, Phys. Rev. B PHTRDP 1098-0121 10.1103/PhysRevB.59.1743 59, 1743 (1999).
26. J. P. Perdew and Y. Wang, Phys. Rev. B PHTRDP 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
27. Supercells contain a doubled number of atoms compared to the crystallographic unit cell. In addition, spin-polarized calculations require a quadrupled matrix compared to LDA calculations. This leads to a substantial increase in the computation time. Therefore only less dense k meshes can be used.
28. S. Todo and K. Kato, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.047203 87, 047203 (2001).
29. F. Alet, S. Wessel, and M. Troyer, Phys. Rev. E PRLTAO 1539-3755 10.1103/PhysRevE.71.036706 71, 036706 (2005), and references therein. (Pubitemid 40629742)
30. A. Albuquerque, F. Alet, P. Corboz, P. Dayal, A. Feiguin, S. Fuchs, L. Gamper, E. Gull, S. Gürtler, A. Honecker, R. Igarashi, M. Körner, A. Kozhevnikov, A. Läuchli, S. R. Manmana, M. Matsumoto, I. P. McCulloch, F. Michel, R. M. Noack, G. Pawlowski, L. Pollet, T. Pruschke, U. Schollwöck, S. Todo, S. Trebst, M. Troyer, P. Werner, and S. Wessel, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/j.jmmm.2006.10.304 310, 1187 (2007).
31. O. Janson, R. O. Kuzian, S.-L. Drechsler, and H. Rosner, Phys. Rev. B JMMMDC 1098-0121 10.1103/PhysRevB.76.115119 76, 115119 (2007).
32. x 2 - y 2 states with other Cu states (Fig., bottom left), this hybridization is far too small to affect the orbital ground state.
33. H. Eschrig and K. Koepernik, Phys. Rev. B JMMMDC 1098-0121 10.1103/PhysRevB.80.104503 80, 104503 (2009).
34. 7.
35. A. A. Tsirlin, I. Rousochatzakis, D. Kasinathan, O. Janson, R. Nath, F. Weickert, C. Geibel, A. M. Läuchli, and H. Rosner, Phys. Rev. B JMMMDC 1098-0121 10.1103/PhysRevB.82.144426 82, 144426 (2010).
36. O. Janson, A. A. Tsirlin, M. Schmitt, and H. Rosner, Phys. Rev. B JMMMDC 1098-0121 10.1103/PhysRevB.82.014424 82, 014424 (2010).
37. The access to all relevant couplings is ensured by considering three different supercells.
38. 7.
39. M. D. Johannes, J. Richter, S.-L. Drechsler, and H. Rosner, Phys. Rev. B JMMMDC 1098-0121 10.1103/PhysRevB.74.174435 74, 174435 (2006). (Pubitemid 44866632)
40. M. Schmitt, A. A. Gippius, K. S. Okhotnikov, W. Schnelle, K. Koch, O. Janson, W. Liu, Y.-H. Huang, Y. Skourski, F. Weickert, M. Baenitz, and H. Rosner, Phys. Rev. B JMMMDC 1098-0121 10.1103/PhysRevB.81.104416 81, 104416 (2010).
41. D. C. Johnston, T. Saito, M. Azuma, M. Takano, T. Yamauchi, and Y. Ueda, Phys. Rev. B JMMMDC 1098-0121 10.1103/PhysRevB.64.134403 64, 134403 (2001).
42. Z. He and Y. Ueda, Phys. Rev. B JMMMDC 1098-0121 10.1103/PhysRevB.77. 052402 77, 052402 (2008).
43. N. D. Mermin and H. Wagner, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.17.1133 17, 1133 (1966).
44. The details of the fitting procedure are extensively discussed in Ref..
45. The uncertainty of such scaling can reach 30-40%, which largely exceeds typical uncertainties of χ (T) measurements. Therefore the fitting of the magnetic exchange couplings is done using χ (T) data only.
46. Y. Arango, E. Vavilova, V. Kataev, R. Klingeler, A. A. Tsirlin, O. Janson, S.-L. Drechsler, H. Rosner, and B. Büchner (unpublished).
47. O. Janson, W. Schnelle, M. Schmidt, Yu. Prots, S.-L. Drechsler, S. K. Filatov, and H. Rosner, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/11/11/ 113034 11, 113034 (2009).
48. 7.
49. J. Deisenhofer, R. M. Eremina, A. Pimenov, T. Gavrilova, H. Berger, M. Johnsson, P. Lemmens, H.-A. Krug von Nidda, A. Loidl, K.-S. Lee, and M.-H. Whangbo, Phys. Rev. B NJOPFM 1098-0121 10.1103/PhysRevB.74.174421 74, 174421 (2006). (Pubitemid 44778479)
50. A. A. Tsirlin and H. Rosner, Phys. Rev. B NJOPFM 1098-0121 10.1103/PhysRevB.79.214417 79, 214417 (2009).
51. A. A. Tsirlin, R. Nath, A. M. Abakumov, R. V. Shpanchenko, C. Geibel, and H. Rosner, Phys. Rev. B NJOPFM 1098-0121 10.1103/PhysRevB.81.174424 81, 174424 (2010).
52. M. Roca, P. Amorós, J. Cano, M. Dolores Marcos, J. Alamo, A. Beltrán-Porter, and D. Beltrán-Porter, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic971210o 37, 3167 (1998).