Exchange interactions in NiO and at the NiO(100) surface

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 6, 2002, Pages 644341-644349

  Kodderitzsch D ^a   Hergert, W ^a   Temmerman, W M ^b   Szotek, Z ^b   Ernst, A ^c   Winter, H ^d  

^a MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

^b DARESBURY LABORATORY   (United Kingdom)

^c MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

^d KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

METAL OXIDE; NICKEL COMPLEX;

ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ENERGY; GEOMETRY; MAGNETIC FIELD; MATHEMATICAL ANALYSIS; MODEL; THEORY;

EID: 0036696522     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.064434     Document Type: Article

References (49)

1. V. Henrich and P. Cox, The Surface Science of Metal Oxides (Cambridge University Press, Cambridge, 1994).
2. P. Cox, Transition Metal Oxides: An Introduction to their Electronic Structure and Properties (Clarendon Press, Oxford, 1992).
3. J. Stöhr, A. Scholl, T.J. Regan, S. Anders, J. Lüning, M.R. Scheinfein, H.A. Padmore, and R.L. White, Phys. Rev. Lett. 83, 1862 (1999).
4. D. Alders, L.H. Tjeng, F.C. Voogt, T. Hibma, G.A. Sawatzky, C.T. Chen, J. Vogel, M. Sacchi, and S. Iacobucci, Phys. Rev. B 57, 11 623 (1998).
5. A. Barbier, C. Mocuta, H. Kuhlenbeck, K.F. Peters, B. Richter, and G. Renaud, Phys. Rev. Lett. 84, 2897 (2000).
6. F.Y. Yang and C.L. Chien, Phys. Rev. Lett. 85, 2597 (2000).
7. W. Zhu, L. Seve, R. Sears, B. Sinkovic, and S.S.P. Parkin, Phys. Rev. Lett. 86, 5389 (2001).
8. H. Ohldag, A. Scholl, F. Nolting, S. Anders, F.U. Hillebrecht, and J. Stöhr, Phys. Rev. Lett. 86, 2878 (2001).
9. G.A. Sawatzky and J.W. Allen, Phys. Rev. Lett. 53, 2339 (1984).
10. A. Svane and O. Gunnarsson, Phys. Rev. Lett. 65, 1148 (1990).
11. K. Terakura, T. Oguchi, A.R. Williams, and J. Kübler, Phys. Rev. B 30, 4734 (1984).
12. O.K. Andersen, H.L. Skriver, H. Nohl, and B. Johansson, Pure Appl. Chem. 52, 93 (1979).
13. V.I. Anisimov, F. Aryasetiawan, and A.I. Liechtenstein, J. Phys.: Condens. Matter 9, 767 (1997).
14. A.I. Liechtenstein and M.I. Katnelson, Phys. Rev. B 57, 6884 (1998).
15. Z. Szotek, W.M. Temmerman, and H. Winter, Phys. Rev. B 47, 4029 (1993).
16. F. Aryasetiawan and O. Gunnarsson, Phys. Rev. Lett. 74, 3221 (1995).
17. V. Anisimov, A. Poteryaev, M. Korotin, A. Anokhin, and G. Kotliar, J. Phys.: Condens. Matter 9, 7359 (1997).
18. M.D. Towler, N.L. Allan, N.M. Harrison, V.R. Saunders, W.C. Mackrodt, and E. Apra, Phys. Rev. B 50, 5041 (1994).
19. M. Marynowski, W. Franzen, M. El-Batanouny, and V. Staemmler, Phys. Rev. B 60, 6053 (1999).
20. C. de Graaf, F. Illas, R. Broer, and W. Nieuwpoort, J. Chem. Phys. 106, 3287 (1997).
21. J. Pothuizen, O. Cohen, and G. Sawatzky, in Epitaxial Oxide Thin Films II, edited by D.K. Fork, J.S. Speck, T. Shiosaki, and R.M. Wolf, MRS Symposia Proceedings No. 401 (Materials Research Society, Pittsburgh, PA, 1996), p. 501.
22. M. Hutchings and E. Samuelsen, Phys. Rev. B 6, 3447 (1972).
23. G. Srinivasan and M.S. Seehra, Phys. Rev. B 29, 6295 (1984).
24. M.E. Lines, Phys. Rev. 139, A1304 (1965).
25. M.E. Lines, Phys. Rev. 139, A1313 (1965).
26. M.E. Lines, Phys. Rev. 135, A1336 (1964).
27. T. Lubensky and M. Rubin, Phys. Rev. B 12, 3885 (1975).
28. A. Bray and M. Moore, J. Phys. A 10, 1927 (1977).
29. A.I. Liechtenstein, M.I. Katnelson, V.P. Antropov, and V.A. Gubanov, J. Magn. Magn. Mater. 67, 65 (1987).
30. A. Liechtenstein, M. Katsnelson, and V. Gubanov, J. Phys. F 14, L125 (1984).
31. J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
32. Z. Szotek, W.M. Temmerman, and H. Winter, Solid State Commun. 74, 1031 (1990).
33. W.M. Temmerman, A. Svane, Z. Szotek, and H. Winter, in Electronic Density Functional Theory: Recent Progress and New Directions, edited by J.F. Dobson, G. Vignale, and P.M. Das (Plenum Press, New York, 1998).
34. O.K. Andersen, Phys. Rev. B 12, 3060 (1975).
35. O.K. Andersen and O. Jepsen, Phys. Rev. Lett. 53, 2571 (1984).
36. W.R.L. Lambrecht and O.K. Andersen, Phys. Rev. B 34, 2439 (1986).
37. W.B. Pearson, A Handbook of Lattice Spacings and Structures of Metals and Alloys (Pergamon, New York, 1958).
38. P. Dufek, P. Blaha, V. Sliwko, and K. Schwarz, Phys. Rev. B 49, 10 170 (1994).
39. H. Rooksby, Acta Crystallogr. 1, 226 (1948).
40. G. Slack, J. Appl. Phys. 31, 1571 (1960).
41. T. Oguchi, K. Terakura, and A.R. Williams, Phys. Rev. B 28, 6443 (1983).
42. M.R. Welton-Cook and M. Prutton, J. Phys. C 13, 3993 (1980).
43. C.G. Kinniburgh and J.A. Walker, Surf. Sci. 63, 274 (1977).
44. P. Palmberg, R. DeWames, and L. Vredevoe, Phys. Rev. Lett. 21, 682 (1968).
45. S.L. Dudarev, A.I. Liechtenstein, M.R. Castell, G.A.D. Briggs, and A.P. Sutton, Phys. Rev. B 56, 4900 (1997).
46. S. Sugano, Y. Tanabe, and H. Kamimura, Multiplets of Transition-Metal Ions in Crystals (Academic Press, New York, 1970).
47. J. Zaanen, G.A. Sawatzky, and J.W. Allen, Phys. Rev. Lett. 55, 418 (1985).
48. C. de Graaf, R. Broer, and W. Nieuwport, Chem. Phys. Lett. 271, 372 (1997).
49. D.P. Landau and K. Binder, Phys. Rev. B 41, 4633 (1990).