Density functional theory study of bulk platinum monoxide

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 15, 2005, Pages

  Uddin, Jamal ^a   Peralta, Juan E ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 28644451103     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.155112     Document Type: Article

References (50)

1. I. de P. R. Moreira, F. Illas, and R. L. Martin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.155102 65, 155102 (2002).
2. J. Muscat, A. Wander, and N. M. Harrison, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(01)00616-9 342, 397 (2001).
3. T. Bredow and A. R. Gerson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.5194 61, 5194 (2000).
4. Th. Pillo, R. Zimmermann, P. Steiner, and S. Hüfner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/19/018 9, 3987 (1997).
5. V. I. Anisimov, I. V. Solovyev, and M. A. Korotin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.16929 48, 16929 (1993).
6. W. H. Weber, J. T. Remillard, and J. R. McBride, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.15085 46, 15085 (1992).
7. Z.-X. Shen, R. S. List, D. S. Dessau, B. O. Wells, O. Jepsen, A. J. Arko, R. Barttlet, C. K. Shih, F. Parmigiani, J. C. Huang, and P. A. P. Lindberg, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.3604 44, 3604 (1991).
8. A. Svane and O. Gunnarsson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.65.1148 65, 1148 (1990).
9. M. R. Norman and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.8896 33, 8896 (1986).
10. P. O. Nilsson, J. Phys. C JPSOAW 0022-3719 12, 1423 (1979).
11. N. F. Mott, Metal-Insulator Transitions (Taylor and Francis, London, 1974).
12. K. Kuribayashi and S. Kitamura, Thin Solid Films THSFAP 0040-6090 10.1016/S0040-6090(01)01503-6 400, 160 (2001).
13. M. H. Kim, T. S. Park, D. S. Lee, and E. Yoon, J. Mater. Res. JMREEE 0884-2914 14, 634 (1999).
14. B. S. Lee and J. Y. Lee, Jpn. J. Appl. Phys., Part 2 JAPLD8 0021-4922 10.1143/JJAP.38.L870 38, L870 (1999).
15. T. Sakoda, K. Aoki, and Y. Fukuda, Jpn. J. Appl. Phys., Part 2 JAPLD8 0021-4922 10.1143/JJAP.38.5162 38, 5162 (1999).
16. W. S. Kim, J.-W. Kim, H.-H. Park, and H. N. Lee, Jpn. J. Appl. Phys., Part 2 JAPLD8 0021-4922 39, 7097 (2002).
17. T. P. Liu, W.-P. Huang, and R.-B. Wu, IEEE Trans. Electron Devices IETDAI 0018-9383 50, 1425 (2003).
18. J. Premkumar and R. Ramaraj, J. Solid State Electrochem. JSSEFS 1432-8488 10.1007/s100080050042 1, 172 (1997).
19. Y.-T. Long, S. Herrwerth, W. Eck, and M. Grunze, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b107091f 4, 522 (2002).
20. W. J. Moore and L. Pauling, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja01850a074 63, 1392 (1941).
21. W. D. Westwood and C. D. Benewitz, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1663583 45, 2313 (1974).
22. M. Hecq and A. Hecq, J. Less-Common Met. JCOMAH 0022-5088 10.1016/0022-5088(77)90227-2 56, 133 (1977).
23. O. Muller and R. Roy, J. Less-Common Met. JCOMAH 0022-5088 10.1016/0022-5088(68)90070-2 16, 129 (1968).
24. J. R. McBride, G. W. Graham, C. R. Peters, and W. H. Weber, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.347255 69, 1596 (1991).
25. Y. Abe, M. Kawamura, and K. Sasaki, Jpn. J. Appl. Phys., Part 2 JAPLD8 0021-4922 10.1143/JJAP.38.2092 38, 2092 (1999).
26. K. C. Hass and A. E. Carlsson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.4246 46, 4246 (1992).
27. R. Ahuja, S. Auluck, B. Johansson, and M. A. Khan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.2128 50, 2128 (1994).
28. K.-T. Park, D. L. Novikov, V. A. Gubanov, and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.4425 49, 4425 (1994).
29. K. A. Johnson and N. W. Ashcroft, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.15548 58, 15548 (1998).
30. A. E. Carlsson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.5178 31, 5178 (1985).
31. K. N. Kudin, G. E. Scuseria, and R. L. Martin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.266402 89, 266402 (2002).
32. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
33. V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1626543 119, 12129 (2003).
34. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1564060 118, 8207 (2003).
35. J. Heyd and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1668634 120, 7274 (2004).
36. J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472933 105, 9982 (1996).
37. M. Ernzerhof, J. P. Perdew, and K. Burke, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1997)64:3<285::AID-QUA2>3.0.CO;2-S 64, 285 (1997).
38. M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478401 110, 5029 (1999).
39. K. N. Kudin and G. E. Scuseria, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.16440 61, 16440 (2000).
40. D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF01114537 77, 123 (1990).
41. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. CJPHAD 0008-4204 58, 1200 (1980).
42. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
43. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian Development Version, Revision B.07 and C.01, Gaussian, Inc., Wallingford CT, 2004.
44. A. Khein, D. J. Singh, and C. J. Umrigar, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.4105 51, 4105 (1995).
45. X. Feng, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.155107 69, 155107 (2004).
46. D. Muñoz, N. H. Harrison, and F. Illas, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.085115 69, 085115 (2004).
47. W. C. Mackrodt, D. S. Middlemiss, and T. G. Owens, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.115119 69, 115119 (2004).
48. J. K. Perry, J. Tahir-Kheli, and W. A. Goddard, III, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.144510 63, 144510 (2001).
49. Yoshio Abe (private communication).
50. J. E. Peralta, J. Uddin, and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1851973 122 084108 (2005).