Electronic structure of mixed-valence semiconductors in the LSDA+ U approximation. I. Sm monochalcogenides

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 16, 2002, Pages 1652081-16520810

  Antonov, V N ^a,c   Harmon, B N ^a   Yaresko, A N ^b  

^a IOWA STATE UNIVERSITY   (United States)

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

^c INSTITUTE OF METAL PHYSICS   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

CHALCOGEN; LANTHANUM; SAMARIUM; THORIUM;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; ELECTRON; ELECTRONICS; ENERGY; MEASUREMENT; PRESSURE; SEMICONDUCTOR; X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 0142166570     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.165208     Document Type: Article

References (75)

1. P. Wachter, Handbook of the Physics and Chemistry of Rare Earths, edited by K. A. Gschneidner, L. Eyring, and S. Hüfner (North-Holland, Amsterdam, 1994), Vol. 19, p. 177.
2. P S. Riseborough, Adv. Phys. 49, 257 (2000).
3. L. Degiorgi, Rev. Mod. Phys. 71, 687 (1999).
4. N. F. Mott, Philos. Mag. 30, 403 (1973).
5. R. M. Martin and J. M. Allen, J. Appl. Phys. 50, 7561 (1979).
6. T. Kasuya, J. Phys. Colloq. 37, C4 (1976); T. Kasuya, K. Takegahara, and T. Fujita, ibid. 40, C5 (1979); 40, 308 (1979); T. Kasuya, Europhys. Lett. 26, 277 (1994).
7. T. Kasuya, J. Phys. Colloq. 37, C4 (1976); T. Kasuya, K. Takegahara, and T. Fujita, ibid. 40, C5 (1979); 40, 308 (1979); T. Kasuya, Europhys. Lett. 26, 277 (1994).
8. T. Kasuya, J. Phys. Colloq. 37, C4 (1976); T. Kasuya, K. Takegahara, and T. Fujita, ibid. 40, C5 (1979); 40, 308 (1979); T. Kasuya, Europhys. Lett. 26, 277 (1994).
9. T. Kasuya, J. Phys. Colloq. 37, C4 (1976); T. Kasuya, K. Takegahara, and T. Fujita, ibid. 40, C5 (1979); 40, 308 (1979); T. Kasuya, Europhys. Lett. 26, 277 (1994).
10. K. A. Kikoin, Zh. Éksp. Teor. Fiz. 85, 1000 (1983) [JETP 58, 582 (1983)]; J. Phys. C 17, 6771 (1984); K. A. Kikoin and A. S. Mishenko, J. Phys. C 2, 6491 (1990); S. Curnoe and K. A. Kikoin, Phys. Rev. B 61, 15 714 (2000).
11. K. A. Kikoin, Zh. Éksp. Teor. Fiz. 85, 1000 (1983) [JETP 58, 582 (1983)]; J. Phys. C 17, 6771 (1984); K. A. Kikoin and A. S. Mishenko, J. Phys. C 2, 6491 (1990); S. Curnoe and K. A. Kikoin, Phys. Rev. B 61, 15 714 (2000).
12. K. A. Kikoin, Zh. Éksp. Teor. Fiz. 85, 1000 (1983) [JETP 58, 582 (1983)]; J. Phys. C 17, 6771 (1984); K. A. Kikoin and A. S. Mishenko, J. Phys. C 2, 6491 (1990); S. Curnoe and K. A. Kikoin, Phys. Rev. B 61, 15 714 (2000).
13. K. A. Kikoin, Zh. Éksp. Teor. Fiz. 85, 1000 (1983) [JETP 58, 582 (1983)]; J. Phys. C 17, 6771 (1984); K. A. Kikoin and A. S. Mishenko, J. Phys. C 2, 6491 (1990); S. Curnoe and K. A. Kikoin, Phys. Rev. B 61, 15 714 (2000).
14. K. Hanzawa, J. Magn. Magn. Mater. 177-181, 347 (1998).
15. M. Park and J. Hong, J. Korean Phys. Soc. 33, 480 (1998).
16. A. F. Sovestnov, V. A. Shaburov, L. A. Markova, and E. M. Savitski, Fiz. Tverd. Tela (Leningrad) 23, 2827 (1981) [Sov. Phys. Solid State 23, 1652 (1981)].
17. J. M. D. Coey, S. K. Glatak, M. Avignon, and P. Holtzberg, Phys. Rev. B 14, 3744 (1976).
18. M. B. Maple and D. Wohleben, Phys. Rev. Lett. 14, 3744 (1976).
19. F. Holzberg and J. Wittig, Solid State Commun. 40, 315 (1981).
20. F. Lapierre, M. Ribault, F. Holzberg, and J. Floquet Solid State Commun. 40, 347 (1981).
21. M. Konczukowski, J. Morillo, and H. P. Senateur, Solid State Commun. 40, 517 (1981).
22. H. L. Davis, in Proceedings of the 9th Rare Earth Conference, Blacksburg, 1971 (Elsevier, Amsterdam, 1977).
23. O. V. Farberovich, Fiz. Tverd. Tela (Leningrad) 22, 669 (1980) [Sov. Phys. Solid State 22, 393 (1980)]; Phys. Status Solidi B 104, 365 (1981)].
24. O. V. Farberovich, Fiz. Tverd. Tela (Leningrad) 22, 669 (1980) [Sov. Phys. Solid State 22, 393 (1980)]; Phys. Status Solidi B 104, 365 (1981)].
25. P. Strange, J. Phys. C 17, 4273 (1984); Physica B & C 130, 44 (1985).
26. P. Strange, J. Phys. C 17, 4273 (1984); Physica B & C 130, 44 (1985).
27. Z. W. Lu, D. J. Singh, and H. Krakauer, Phys. Rev. B 37, 10 045 (1988).
28. M. Campagna, E. Bucher, G. K. Wertheim, and L. D. Longinotti, Phys. Rev. Lett. 33, 165 (1974).
29. S.-J. Oh and J. W. Allen, Phys. Rev. B 29, 589 (1984).
30. F. López-Aguilar and H. Krakauer, J. Phys. C 19, 2485 (1986); F. López-Aguilar, ibid. 19, L735 (1986); S. Balle, J. Costa-Quintana, and F. Lṕez-Aguilar, Phys. Rev. B 37, 6615 (1988).
31. F. López-Aguilar and H. Krakauer, J. Phys. C 19, 2485 (1986); F. López-Aguilar, ibid. 19, L735 (1986); S. Balle, J. Costa-Quintana, and F. Lṕez-Aguilar, Phys. Rev. B 37, 6615 (1988).
32. F. López-Aguilar and H. Krakauer, J. Phys. C 19, 2485 (1986); F. López-Aguilar, ibid. 19, L735 (1986); S. Balle, J. Costa-Quintana, and F. Lṕez-Aguilar, Phys. Rev. B 37, 6615 (1988).
33. R. Schumann, M. Richter, L. Steinbeck, and H. Eschrig, Phys. Rev. B 52, 8801 (1995).
34. C. Lehner, M. Richter, and H. Eschrig, Phys. Rev. B 58, 6807 (1998).
35. V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B 44, 943 (1991).
36. V. I. Anisimov, F. Aryasetiawan, and A. I. Lichtenstein, J. Phys.: Condens. Matter 9, 767 (1997).
37. P. M. Oppeneer, V. N. Antonov, A. N. Yaresko, A. Ya. Perlov, and H. Eschrig, Phys. Rev. Lett. 78, 4079 (1997).
38. V. N. Antonov, A. N. Yaresko, A. Ya. Perlov, P. Thalmeier, P. Fulde, P. M. Oppeneer, and H. Eschrig, Phys. Rev. B 58, 5043 (1998).
39. V. N. Antonov, B. N. Harmon, V. P. Antropov, A. Ya. Perlov, and A. N. Yaresko, Phys. Rev. B 64, 134410 (2001).
40. P. M. Oppeneer, A. N. Yaresko, A. Ya. Perlov, V. N. Antonov, and H. Eschrig, Phys. Rev. B 54, R3706 (1996).
41. V. N. Antonov, B. N. Harmon, and A. N. Yaresko, Phys. Rev. B 63, 205112 (2001).
42. P. Villars and L. D. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, 1991).
43. U. von Barth and L. A. Hedin, J. Phys. C 5, 1692 (1972).
44. V. V. Nemoshkalenko and V. N. Antonov, Computational Methods in Solid State Physics (Gordon and Breach, London, 1998).
45. O. K. Andersen, Phys. Rev. B 12, 3060 (1975); D. D. Koelling and B. N. Harmon, J. Phys. C 10, 3107 (1977).
46. O. K. Andersen, Phys. Rev. B 12, 3060 (1975); D. D. Koelling and B. N. Harmon, J. Phys. C 10, 3107 (1977).
47. V. V. Nemoshkalenko, A. E. Krasovskii, V. N. Antonov, VI. N. Antonov, U. Fleck, H. Wonn, and P. Ziesche, Phys. Status Solidi B 120, 283 (1983).
48. V. N. Antonov, A. Ya. Perlov, A. P. Shpak, and A. N. Yaresko, J. Magn. Magn. Mater. 146, 205 (1995).
49. H. Ebert, Phys. Rev. B 38, 9390 (1988).
50. L. Hedin and B. I. Lindqvist, J. Phys. C 4, 2064 (1971).
51. V. N. Antonov, A. I. Bagljuk, A. Ya. Perlov, V. V. Nemoshkalenko, VI. N. Antonov, O. K. Andersen, and O. Jepsen, Low Temp. Phys. 19, 494 (1993).
52. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
53. 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 (North-Holland, Amsterdam, 1987), Vol. 10, p. 321.
54. P. H. Dederics, S. Blügel, R. Zeller, and H. Akai, Phys. Rev. Lett. 53, 2512 (1984).
55. V. I. Anisimov and O. Gunnarsson, Phys. Rev. B 43, 7570 (1991).
56. M. Campagna, G. K. Wertheim, and E. Bucher, Structure and Bonding (Springer, Berlin, 1976), Vol. 30, p. 99.
57. J. Yeh and I. Lindau, At. Data Nucl. Data Tables 32, 1 (1985).
58. P. A. Cox, Structure and Bonding (Springer, Berlin, 1975), Vol. 24, p. 59.
59. G. Racah, Phys. Rev. 76, 1352 (1949).
60. B. Batlogg, E. Kaldis, A. Schlegel, and P. Wachter, Phys. Rev. B 14, 5503 (1976).
61. A. V. Jayaraman, V. Narayanamurti, E. Bucher, and R. G. Maines, Phys. Rev. Lett. 25, 368 (1970); 25, 1430 (1970).
62. A. V. Jayaraman, V. Narayanamurti, E. Bucher, and R. G. Maines, Phys. Rev. Lett. 25, 368 (1970); 25, 1430 (1970).
63. E. Bucher, V. Narayanamurti, and A. V. Jayaraman, J. Appl. Phys. 42, 1741 (1971).
64. J.-M. Mignot (private communication).
65. P. Fulde, Electron Correlations in Molecules and Solids (Springer, Berlin, 1995).
66. T. M. Rice and K. Ueda, Phys. Rev. B 34, 6420 (1986).
67. J. Lagsgaard and A. Svane, Phys. Rev. B 58, 12 817 (1998).
68. G. Travaglini and P. Wachter, Phys. Rev. B 30, 5877 (1984).
69. S. D. Bader, N. E. Phillips, and D. B. McWhan, Phys. Rev. B 7, 4686 (1973).
70. A. Jayaraman and R. G. Maines, Phys. Rev. B 19, 4154 (1979).
71. A. Jayaraman, P. D. Dernler, and L. D. Longinott, in Valence Instabilites and Related Narrow Band Phenomena, edited by R. D. Parks (Plenum, New York, 1977), p. 61.
72. A. Jayaraman, in Handbook of the Physics and Chemistry of Rare Earths, edited by K. A. Gschneidner, L. Eyring, and S. Hüfner (North-Holland, Amsterdam, 1979), Vol. 2, p. 575.
73. M. W. Elmiger and P. Wachter, J. Magn. Magn. Mater. 63&64, 612 (1987).
74. P. Wachter, A. Jung, and P. Steiner, Phys. Rev. B 51, 5542 (1995).
75. O.B Tsiok, V. A. Sidirov, V. V. Bredikhin, L. G. Khvostantsev, A. V. Golubkov, and L. A. Smirnov, Solid State Commun. 79, 227 (1991)