Monoclinic M 1 phase of VO 2: Mott-Hubbard versus band insulator

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 4, 2012, Pages

  Belozerov, A S ^a   Korotin, M A ^a   Anisimov, V I ^a   Poteryaev, A I ^a,b  

^a INSTITUTE OF METAL PHYSICS   (Russian Federation)

^b Institute of Quantum Materials Science   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84856423986     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.045109     Document Type: Article

References (61)

1. M. Imada, A. Fujimori, and Y. Tokura, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.70.1039 70, 1039 (1998). (Pubitemid 128159247)
2. E. E. Chain, Appl. Opt. APOPAI 0003-6935 10.1364/AO.30.002782 30, 2782 (1991).
3. F. J. Morin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.3.34 3, 34 (1959).
4. J. B. Goodenough, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(71)90091-0 3, 490 (1971).
5. J. P. Pouget, P. Lederer, D. S. Schreiber, H. Launois, D. Wohlleben, A. Casalot, and G. Villeneuve, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/S0022-3697(72)80495-5 33, 1961 (1972).
6. G. Villeneuve, M. Drillon, P. Hagenmuller, M. Nygren, J. P. Pouget, F. Carmona, and P. Delhaes, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/10/18/026 10, 3621 (1977).
7. T. M. Rice, H. Launois, and J. P. Pouget, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.73.3042 73, 3042 (1994).
8. K. Okazaki, H. Wadati, A. Fujimori, M. Onoda, Y. Muraoka, and Z. Hiroi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.165104 69, 165104 (2004).
9. T. C. Koethe, Z. Hu, M. W. Haverkort, C. Schussler-Langeheine, F. Venturini, N. B. Brookes, O. Tjernberg, W. Reichelt, H. H. Hsieh, H.-J. Lin, C. T. Chen, and L. H. Tjeng, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 97.116402 97, 116402 (2006). (Pubitemid 44394832)
10. R. M. Wentzcovitch, W. W. Schulz, and P. B. Allen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.3389 72, 3389 (1994);
11. M. A. Korotin, N. A. Skorikov, and V. I. Anisimov, Phys. Met. Metallogr. 94, 17 (2002);
12. V. Eyert, Ann. Phys. ANPYA2 0003-3804 10.1002/1521-3889(200210)11: 9<650::AID-ANDP6503.0.CO;2-K 11, 650 (2002).
13. A. Continenza, S. Massidda, and M. Posternak, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.60.15699 60, 15699 (1999);
14. M. Gatti, F. Bruneval, V. Olevano, and L. Reining, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.266402 99, 266402 (2007).
15. V. Eyert, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107. 016401 107, 016401 (2011).
16. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1564060 118, 8207 (2003).
17. A. Liebsch, H. Ishida, and G. Bihlmayer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.085109 71, 085109 (2005); (Pubitemid 40470931)
18. M. Laad, L. Craco, and E. Müller-Hartmann, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2004-10430-0 69, 984 (2005); (Pubitemid 40435932)
19. M. S. Laad, L. Craco, and E. Müller-Hartmann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.195120 73, 195120 (2006). (Pubitemid 43782090)
20. A. S. Belozerov, A. I. Poteryaev, and V. I. Anisimov, JETP Lett. JTPLA2 0021-3640 10.1134/S0021364011020056 93, 73 (2011).
21. S. Biermann, A. Poteryaev, A. I. Lichtenstein, and A. Georges, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.026404 94, 026404 (2005). (Pubitemid 40620166)
22. B. Lazarovits, K. Kim, K. Haule, and G. Kotliar, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115117 81, 115117 (2010).
23. V. I. Anisimov, I. S. Elfimov, N. Hamada, and K. Terakura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.4387 54, 4387 (1996).
24. V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.44.943 44, 943 (1991);
25. V. I. Anisimov, F. Aryasetiawan, and A. I. Lichtenstein, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/4/002 9, 767 (1997).
26. Vivaldo Leiria Campo Jr and Matteo Cococcioni, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/5/055602 22, 055602 (2010).
27. Heather J. Kulik and Nicola Marzari, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3559452 134, 094103 (2011).
28. A. I. Poteryaev, A. I. Lichtenstein, and G. Kotliar, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.086401 93, 086401 (2004).
29. J. Hubbard, Proc. R. Soc. London A PRLTAO 1364-5021 10.1098/rspa.1963. 0204 276, 238 (1963).
30. V. Anisimov, A. Poteryaev, M. Korotin, A. Anokhin, and G. Kotliar, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/35/010 9, 7359 (1997).
31. A. I. Lichtenstein and M. I. Katsnelson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.6884 57, 6884 (1998).
32. J. Hubbard, Proc. R. Soc. London A JCOMEL 1364-5021 10.1098/rspa.1965. 0124 285, 542 (1965);
33. J. Hubbard, Proc. R. Soc. London A JCOMEL 1364-5021 10.1098/rspa.1967. 0007 296, 82 (1967).
34. A. L. Tchougreeff and R. Hoffmann, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100201a055 96, 8993 (1992);
35. M. P. Lopez Sancho, M. C. Munoz, and L. Chico, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.165419 63, 165419 (2001);
36. L. Y. Zhu and W. Z. Wang, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/18/27/010 18, 6273 (2006). (Pubitemid 43959244)
37. P. A. Lee, N. Nagaosa, and Xiao-Gang Wen, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.78.17 78, 17 (2006); (Pubitemid 43279669)
38. E. S. Caixeiro and A. Troper, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.014502 82, 014502 (2010).
39. F. Lechermann, A. Georges, A. Poteryaev, S. Biermann, M. Posternak, A. Yamasaki, and O. K. Andersen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74. 125120 74, 125120 (2006). (Pubitemid 44484380)
40. A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.68.13 68, 13 (1996);
41. G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.78.865 78, 865 (2006).
42. A. Fetter and J. Walecka, Quantum Theory of Many-Particle Systems (McGraw-Hill, New York, 1971).
43. M. Karolak, G. Ulm, T. Wehling, V. Mazurenko, A. Poteryaev, and A. Lichtenstein, J. Electron Spectrosc. Relat. Phenom. JESRAW 0368-2048 10.1016/j.elspec.2010.05.021 181, 11 (2010).
44. I. V. Solovyev, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.155117 73, 155117 (2006).
45. T. Miyake and F. Aryasetiawan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.085122 77, 085122 (2008).
46. J. M. Longo and P. Kierkegaard, Acta Chem. Scand. ACHSE7 0904-213X 10.3891/acta.chem.scand.24-0420 24, 420 (1970).
47. O. K. Andersen and O. Jepsen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.53.2571 53, 2571 (1984);
48. O. K. Andersen, Z. Pawlowska, and O. Jepsen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.34.5253 34, 5253 (1986).
49. O. K. Andersen and T. Saha-Dasgupta, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.62.R16219 62, 16219 (2000). (Pubitemid 32372694)
50. J. M. Tomczak, F. Aryasetiawan, and S. Biermann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.115103 78, 115103 (2008).
51. A. I. Poteryaev, J. M. Tomczak, S. Biermann, A. Georges, A. I. Lichtenstein, A. N. Rubtsov, T. Saha-Dasgupta, and O. K. Andersen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.085127 76, 085127 (2007).
52. J. M. Tomczak and S. Biermann, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/36/365206 19, 365206 (2007). (Pubitemid 47413408)
53. H. J. Vidberg and J. W. Serene, J. Low Temp. Phys. JLTPAC 0022-2291 10.1007/BF00655090 29, 179 (1977).
54. J. Kunes and V. I. Anisimov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.033109 78, 033109 (2008);
55. M. Sentef, J. Kunes, P. Werner, and A. P. Kampf, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.155116 80, 155116 (2009).
56. J. P. Pouget, H. Launois, T. M. Rice, P. Dernier, A. Gossard, G. Villeneuve, and P. Hagenmuller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.10.1801 10, 1801 (1974).
57. M. Marezio, B. McWhan, J. P. Remeika, and P. D. Dernier, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.5.2541 5, 2541 (1972).
58. J. P. Pouget, H. Launois, J. P. D'Haenens, P. Merenda, and T. M. Rice, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.35.873 35, 873 (1975).
59. U. G. Nielsen, J. Skibsted, and H. J. Jakobsen, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(02)00327-5 356, 73 (2002).
60. J. P. D'Haenens, D. Kaplan, and P. Merenda, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/8/14/009 8, 2267 (1975).
61. K. A. Chao, J. Spalek, and A. M. Oles, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/10/10/002 10, L271 (1977).