Ab initio study of ground and excited states of NiO(100) monolayer

Journal of Physics Condensed Matter

Volumn 12, Issue 10, 2000, Pages 2163-2181

  Noguera, Claudine ^a   Mackrodt, W C ^b  

^a UNIVERSITÉ PARIS SUD   (France)

^b UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000177483     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/12/10/303     Document Type: Article

References (43)

1. Kuhlenbeck H and Freund H J 1977 Growth and Properties of Ultrathin Epitaxial Layers (The Chemical Physics of Solid Surfaces 8) ed D A King and D P Woodruff (Amsterdam: Elsevier)
2. Fujii T, Alders D, Voogt F C, Hibma T, Thole B T and Sawatzky G A 1996 Surf. Sci. 366 579
3. Hesper R, Tjeng L H and Sawatzky G A 1997 Europhys. Lett 40 177
4. Alders D, Tjeng L H, Voogt F C, Hibma T, Sawatzky G A, Chen C T, Vogel J, Sacchi M and Iacobucci S 1998 Phys. Rev. B 57 11 623
5. Hüfner S 1994 Adv. Phys. 43 183
6. Terakura K, Williams A R, Oguchi T and Kübler J 1984 Phys. Rev. B 30 4734
7. Kuiper P, Kruizinga G, Ghijsen J, Sawatzky G A and Verweij H 1989 Phys. Rev. Lett. 62 221
8. van Elp J, Searle B G, Sawatzky G A and Sacchi M 1991 Solid State Commun. 80 67
9. van Elp J, Eskes H, Kuiper P and Sawatzky G A 1992 Phys. Rev. B 45 1612
10. Towler M D, Allan N L, Harrison N M, Saunders V R, Mackrodt W C and Aprà E 1994 Phys. Rev. B 50 5041
11. Towler M D, Allan N L, Harrison N M, Saunders V R and Mackrodt W C 1995 J. Phys.: Condens. Matter 7 6231
12. Harrison N M, Saunders V R, Dovesi R and Mackrodt W C 1998 Phil. Trans. Roy. Soc. A 356 75
13. Dovesi R, Saunders V R, Roetti C, Causà M, Harrison N M, Orlando R and Aprà E 1995 CRYSTAL 95. User Manual (Università di Torino and CCLRC Daresbury Laboratory)
14. Mackrodt W C, Harrison N M, Saunders V R, Allan N L and Towler M D 1996 Chem. Phys. Lett. 250 66
15. Mackrodt W C 1997 Ber. Bunsenges. Phys. Chem. 101 169
16. Springhorn C and Schmalzried H 1994 Ber. Bunsenges. Phys. Chem. 98 746
17. deGraaf C, Broer R and Nieuwpoort W C 1997 Chem. Phys. Lett. 271 372
18. Freitag A, Staemmler V, Cappus D, Ventrice C A, Al Shamery K, Kuhlenbeck H and Freund H-J 1993 Chem. Phys. Lett. 210 10
19. deGraaf C, Broer R and Nieuwpoort W C 1996 Chem. Phys. 208 35
20. Geleijns M, deGraaf C, Broer R and Nieuwpoort W C 1999 Surf. Sci. 421 106
21. See, for example, Stoneham A M 1985 Theory of Defects in Solids 2nd edn (Oxford: Oxford University Press)
22. Burke M L and Goodman D W 1994 Surf. Sci. 311 17
23. Xu C, Oh W S, Guo Q and Goodman D W 1996 J. Vac. Sci. Technol. A 14 1395
24. Guo Q, Xu C and Goodman D W 1998 Langmuir 14 1371
25. Pisani C, Dovesi R and Roetti C 1988 Hartree-Fock Ab Initio Treatment of Crystalline Systems (Berlin: Springer)
26. Pople J A and Nesbet R K 1954 J. Chem. Phys. 22 571
27. Dovesi R, Causà M, Orlando R, Roetti C and Saunders V R 1990 J. Chem. Phys. 92 7402
28. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
29. Brandow B H 1970 Adv. Phys. 26 651
30. Mulliken R S 1955 J. Chem. Phys. 23 1833. Mulliken R S 1955 J. Chem. Phys. 23 1841
31. Mulliken R S 1955 J. Chem. Phys. 23 1833. Mulliken R S 1955 J. Chem. Phys. 23 1841
32. Newman R and Chrenko R M 1959 Phys. Rev. 114 1507
33. Propach V, Reinen D, Drenkhaln H and Müller Buschbaum H 1978 Z. Naturforsch. b 33 619
34. Cox P A and Williams A A 1985 Surf. Sci. 152 791
35. Hüfner S, Steiner P, Reinert F, Schmitt H and Sandl P 1992 Z. Phys. B 88 247
36. Fromme B, Schmitt M, Kisker E, Gorschlüter A and Merz H 1994 Phys. Rev. B 50 1874
37. Fromme B, Möller M, Anschütz Th, Bethke C and Kisker E 1996 Phys. Rev. Lett. 77 1548
38. Mackrodt W C and Williamson E-A 1997 J. Phys.: Condens. Matter 9 6591
39. See, for example, Shluger A L, Harker A H, Grimes R W and Catlow C R A 1992 Phil. Trans. R. Soc. A 341 221 and references therein
40. Moreira I D and Illas F 1997 Phys. Rev. B 55 4129
41. De Graaf, Illas F, Broer R and Nieuwpoort W C 1997 J. Chem. Phys. 106 3287
42. Mackrodt W C and Noguera C unpublished results
43. Powell R J and Spicer W E 1970 Phys. Rev. B 2 2182