Ab initio determination of excitation energies and magnetic couplings in correlated quasi-two-dimensional iridates

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 22, 2012, Pages

  Katukuri, Vamshi M ^a   Stoll, Hermann ^b   Van Den Brink, Jeroen ^a   Hozoi, Liviu ^a  

^a Institute for Theoretical Solid State Physics   (Germany)

^b UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84862206474     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.220402     Document Type: Article

References (36)

1. D. Pesin and L. Balents, Nat. Phys. 1745-2473 10.1038/nphys1606 6, 376 (2010).
2. B.-J. Yang and Y. B. Kim, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.085111 82, 085111 (2010).
3. X. Wan, A. M. Turner, A. Vishwanath, and S. Y. Savrasov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.205101 83, 205101 (2011).
4. G. Jackeli and G. Khaliullin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.017205 102, 017205 (2009).
5. J. Chaloupka, G. Jackeli, and G. Khaliullin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.027204 105, 027204 (2010).
6. J. Reuther, R. Thomale, and S. Trebst, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.100406 84, 100406 (2011).
7. B. J. Kim, H. Jin, S. J. Moon, J.-Y. Kim, B.-G. Park, C.S. Leem, J. Yu, T. W. Noh, C. Kim, S.-J. Oh, J.-H. Park, V.Durairaj, G. Cao, and E. Rotenberg, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.076402 101, 076402 (2008).
8. B. J. Kim, H. Ohsumi, T. Komesu, S. Sakai, T. Morita, H. Takagi, and T. Arima, Science SCIEAS 0036-8075 10.1126/science.1167106 323, 1329 (2009).
9. J. Kim, D. Casa, M. H. Upton, T. Gog, Y.-J. Kim, J. F. Mitchell, M.van Veenendaal, M. Daghofer, J. van den Brink, G. Khaliullin, and B. J. Kim, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.177003 108, 177003 (2012).
10. F. Wang and T. Senthil, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.136402 106, 136402 (2011).
11. H. Watanabe, T. Shirakawa, and S. Yunoki, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.216410 105, 216410 (2010).
12. R. Arita, J. Kune, A. V. Kozhevnikov, A. G. Eguiluz, and M. Imada, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.086403 108, 086403 (2012).
13. C. Martins, M. Aichhorn, L. Vaugier, and S. Biermann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.266404 107, 266404 (2011).
14. H. Jin, H. Jeong, T. Ozaki, and J. Yu, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.075112 80, 075112 (2009).
15. D. Muñoz, F. Illas, and I. de P. R. Moreira, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.1579 84, 1579 (2000).
16. L. Hozoi, L. Siurakshina, P. Fulde, and J. van den Brink, Sci. Rep. 2045-2322 10.1038/srep00065 1, 65 (2011).
17. L. Hozoi and P. Fulde, in Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology, edited by, J. R. Reimers, (John Wiley & Sons, Hoboken, 2011), Chap. 6.
18. M. K. Crawford, M. A. Subramanian, R. L. Harlow, J. A. Fernandez-Baca, Z. R. Wang, and D. C. Johnston, Phys. Rev. B PRBMDO 0163-1829 1098-0121 10.1103/PhysRevB.49.9198 49, 9198 (1994).
19. H. Okabe, M. Isobe, E. Takayama-Muromachi, A. Koda, S.Takeshita, M. Hiraishi, M. Miyazaki, R. Kadono, Y. Miyake, and J. Akimitsu, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.155118 83, 155118 (2011).
20. T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory (Wiley, Chichester, 2000).
21. H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. Schütz molpro 2010, see [http://www.molpro.net].
22. A. Berning, M. Schweizer, H.-J. Werner, P. J. Knowles, and P.Palmieri, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970009483386 98, 1823 (2000).
23. H.-J. Werner and P. J. Knowles, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455556 89, 5803 (1988).
24. D. Figgen, K. A. Peterson, M. Dolg, and H. Stoll, J. Chem. Phys. 0021-9606 10.1063/1.3119665 130, 164108 (2009).
25. P. Fuentealba, L. von Szentpaly, H. Preuss, and H. Stoll, J. Phys. B JPAMA4 0022-3700 10.1088/0022-3700/18/7/010 18, 1287 (1985).
26. J. T. H. Dunning, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456153 90, 1007 (1989).
27. K. Pierloot, B. Dumez, P. O. Widmark, and B. O. Roos, Theor. Chim. Acta 90, 87 (1995).
28. L. J. P. Ament, G. Khaliullin, and J. van den Brink, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.020403 84, 020403 (2011).
29. I. Kimchi and Y.-Z. You, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.180407 84, 180407 (2011).
30. S. Bhattacharjee, S. S. Lee, and Y. B. Kim, arXiv: 1108.1806.
31. H. Jin, H. Kim, H. Jeong, C. H. Kim, and J. Yu, arXiv: 0907.0743.
32. B. Andlauer, J. Schneider, and W. Tolksdorf, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.2220730220 73, 533 (1976).
33. K. Ishii, I. Jarrige, M. Yoshida, K. Ikeuchi, J. Mizuki, K. Ohashi, T. Takayama, J. Matsuno, and H. Takagi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115121 83, 115121 (2011).
34. S. J. Moon, M. W. Kim, K. W. Kim, Y. S. Lee, J.-Y. Kim, J.-H. Park, B. J. Kim, S.-J. Oh, S. Nakatsuji, Y. Maeno, I. Nagai, S. I. Ikeda, G. Cao, and T. W. Noh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.113104 74, 113104 (2006).
35. J. Zaanen, G. A. Sawatzky, and J. W. Allen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.418 55, 418 (1985).
36. R. Broer, L. Hozoi, and W. C. Nieuwpoort, Mol. Phys. MOPHAM 0026-8976 10.1080/0026897021000035205 101, 233 (2003).