Ab initio calculations of the Hubbard U for the early lanthanides using the constrained random-phase approximation

Physical Review B - Condensed Matter and Materials Physics

Volumn 88, Issue 12, 2013, Pages

  Nilsson, F ^a   Sakuma, R ^a   Aryasetiawan, F ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84884896759     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.88.125123     Document Type: Article

References (40)

1. A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.68.13 68, 13 (1996).
2. L. Hedin, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.139.A796 139, A796 (1965).
3. F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/61/3/002 61, 237 (1998).
4. M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226402 96, 226402 (2006). (Pubitemid 43839566)
5. A. N. Chantis, M. van Schilfgaarde, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.165126 76, 165126 (2007).
6. J. Hubbard, Proc. R. Soc. London Ser. A 1364-5021 10.1098/rspa.1963.0204 276, 238 (1963).
7. C. Herring, Magnetism, edited by, G. T. Rado, and, H. Suhl, (Academic, New York, 1966), Vol. 4.
8. B. N. Cox, M. A. Coultard, and P. Loyd, J. Phys. F JPFMAT 0305-4608 10.1088/0305-4608/4/6/009 4, 807 (1974).
9. J. F. Herbst, R. E. Watson, and J. W. Wilkins, Phys. Rev. B 0556-2805 10.1103/PhysRevB.13.1439 13, 1439 (1976).
10. J. F. Herbst, R. E. Watson, and J. W. Wilkins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.17.3089 17, 3089 (1978).
11. P. H. Dederichs, S. Blügel, R. Zeller, and H. Akai, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.53.2512 53, 2512 (1984).
12. M. S. Hybertsen, M. Schlüter, and N. E. Christensen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.9028 39, 9028 (1989).
13. M. Cococcioni and S. de Gironcoli, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.035105 71, 035105 (2005). (Pubitemid 40396386)
14. M. R. Norman and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.8896 33, 8896 (1986).
15. A. K. McMahan, R. M. Martin, and S. Satpathy, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.38.6650 38, 6650 (1988).
16. O. Gunnarsson, O. K. Andersen, O. Jepsen, and J. Zaanen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.1708 39, 1708 (1989).
17. V. I. Anisimov and O. Gunnarsson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.7570 43, 7570 (1991).
18. F. Aryasetiawan, M. Imada, A. Georges, G. Kotliar, S. Biermann, and A. I. Lichtenstein, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.195104 70, 195104 (2004). (Pubitemid 40139485)
19. T. Miyake and F. Aryasetiawan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.085122 77, 085122 (2008).
20. T. Miyake, F. Aryasetiawan, and M. Imada, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.155134 80, 155134 (2009).
21. T. Miyake, K. Nakamura, R. Arita, and M. Imada, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.79.044705 79, 044705 (2010).
22. T. O. Wehling, E. ŞaşIoǧlu, C. Friedrich, A. I. Lichtenstein, M. I. Katsnelson, and S. Blügel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.236805 106, 236805 (2011).
23. L. Vaugier, H. Jiang, and S. Biermann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.165105 86, 165105 (2012).
24. B- C. Shih, T. A. Abtew, X. Yuan, W. Zhang, and P. Zhang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.165124 86, 165124 (2012).
25. E. ŞaşIoǧlu, C. Friedrich, and S. Blügel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.109.146401 109, 146401 (2012).
26. www.flapw.de.
27. N. Marzari and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.12847 56, 12847 (1997).
28. I. Souza, N. Marzari, and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035109 65, 035109 (2001).
29. A. Mostofi, J. R. Yates, Y.-S. Lee, I. Souza, D. Vanderbilt, and N. Marzari, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2007.11.016 178, 685 (2008).
30. F. Freimuth, Y. Mokrousov, D. Wortmann, S. Heinze, and S. Blügel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.035120 78, 035120 (2008).
31. C. Friedrich, S. Blügel, and A. Schindlmayr, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.125102 81, 125102 (2010).
32. E. ŞaşIoǧlu, C. Friedrich and S. Blügel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.121101 83, 121101 (R) (2011)
33. K. A. Gschneidner Jr., Bull. Alloy Phase Diagrams BAPDDW 0197-0216 10.1007/BF02841573 11, 3 (1990).
34. J. Kuneš and R. Laskowski, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.174415 70, 174415 (2004). (Pubitemid 40116155)
35. J. F. Herbst and J. W. Wilkins, in Handbook of the Physics and Chemistry of Rare Earths, edited by, K. A. Gschneidner, L. Eyring, and, S. Hüfner, (Elsevier, Amsterdam, 1987), Vol. 10, p. 321.
36. M. Casula, Ph. Werner, L. Vaugier, F. Aryasetiawan, T. Miyake, A. J. Millis, and S. Biermann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 109.126408 109, 126408 (2012).
37. K. Karlsson, F. Aryasetiawan, and O. Jepsen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.245113 81, 245113 (2010).
38. S. Lebègue, A. Svane, M. I. Katsnelson, A. I. Lichtenstein, and O. Eriksson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.045114 74, 045114 (2006). (Pubitemid 44079266)
39. S. Lebègue, A. Svane, M. I. Katsnelson, A. I. Lichtenstein, and O. Eriksson, J. Phys.: Condens. Matter 10.1088/0953-8984/18/27/015 18, 6329 (2006). (Pubitemid 43959249)
40. R. Sakuma and F. Aryasetiawan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.87.165118 87, 165118 (2013).