First-principles calculations of structural and electronic properties of monoclinic hafnia surfaces

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 11, 2006, Pages

  Mukhopadhyay, Atashi B ^a   Sanz, Javier F ^a,b   Musgrave, Charles B ^a  

^a Stanford University   (United States)

^b UNIVERSITY OF SEVILLE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33645243824     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.115330     Document Type: Article

References (35)

1. P. A. Packan, Science SCIEAS 0036-8075 10.1126/science.285.5436.2079 285, 2079 (1999).
2. C. T. Kuo, R. Kwor, and K. M. Jones, Thin Solid Films THSFAP 0040-6090 10.1016/0040-6090(92)90291-I 213, 257 (1992).
3. M. Ritala, M. Leskela, L. Niinisto, T. Prohaska, G. Friedbacher, and M. Grasserbauer, Thin Solid Films THSFAP 0040-6090 10.1016/0040-6090(94)90168-6 250, 72 (1994).
4. J. Aarik, A. Aidla, A. A. Kiisler, T. Uustare, and V. Sammelselg, Thin Solid Films THSFAP 0040-6090 10.1016/S0040-6090(98)01356-X 340, 110 (1999).
5. H. O. Sankur and W. Gunning, Appl. Opt. APOPAI 0003-6935 28, 2806 (1989).
6. M. Reisse, B. Keiper, S. Weissmantel, H. Johansen, R. Scholz, and T. Martini, Thin Solid Films THSFAP 0040-6090 10.1016/0040-6090(94)90410-3 241, 119 (1994).
7. M. Alvisi, S. Scaglione, S. Martelli, A. Rizzo, and L. Vasanelli, Thin Solid Films THSFAP 0040-6090 10.1016/S0040-6090(99)00534-9 354, 19 (1999).
8. M. Gilo and N. Croitoru, Thin Solid Films THSFAP 0040-6090 10.1016/S0040-6090(99)00226-6 350, 203 (1999).
9. H. Ibegazene, S. Alperine, and C. Diot, J. Mater. Sci. JMTSAS 0022-2461 30, 938 (1995).
10. J. Wang, H. P. Li, and R. Stivens, J. Mater. Sci. JMTSAS 0022-2461 10.1007/BF00541601 27, 5397 (1992).
11. M. H. Cho, Y. S. Roh, C. N. Whang, K. Jeong, S. W. Nahm, D. H. Ko, J. H. Lee, N. I. Lee, and K. Fujihara, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1487923 81, 472 (2002).
12. R. R. Manory, T. Mori, I. Shimizu, S. Miyake, and G. Kimmel, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.1453453 20, 549 (2002).
13. W. Zhu, T. P. Ma, T. Tamagawa, Y. Di, J. Kim, R. Carruthers, M. Gibson, and T. Furukawa, Tech. Dig. - Int. Electron Devices Meet. TDIMD5 0163-1918 464, (2001).
14. M. Y. Ho, H. Gong, G. D. Wilk, B. W. Busch, M. L. Green, P. M. Voyles, D. A. Muller, M. Bude, W. H. Lin, A. See., M. E. Loomans, S. K. Lahiri, and P. T. Räisänen, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1534381 93, 1477 (2003).
15. D. Triyoso, R. Liu, D. Roan, M. Ramon, N. V. Edwards, R. Gregory, D. Werho, J. Kulik, G. Tam, E. Irwin, X. D. Wang, L. B. La, C. Hobbs, R. Garcia, J. Baker, B. E. White, and P. Tobin, J. Electrochem. Soc. JESOAN 0013-4651 10.1149/1.1784821 151, 220 (2004).
16. J. Aarik, A. Aidla, H. Mändar, V. Sammelselg, and T. Uustare, J. Cryst. Growth JCRGAE 0022-0248 10.1016/S0022-0248(00)00831-9 220, 105 (2000).
17. A. Aarik, H. Mändar, M. Kirm, and L. Pung, Thin Solid Films THSFAP 0040-6090 10.1016/j.tsf.2004.01.110 466, 41 (2004).
18. K. Kukli, J. Aarik, M. Ritala, T. Uustare, T. Sajavaara, J. Lu, J. Sundqvist, A. Aidla, L. Pung, A. Harsta, and M. Lesela, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1796513 96, 5298 (2004).
19. A. Christensen and E. A. Carter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.8050 58, 8050 (1998).
20. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993).
21. G. Kresse and J. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
22. J. P. Perdew, J. Chevary, S. Vosko, K. Jackson, M. Pederson, D. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.6671 46, 6671 (1992).
23. J. P. Perdew, in Electronic Structure in Solids, edited by, P. Ziesche, and, H. Eschrig, (Akademie, Berlin 1991).
24. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
25. J. Harris, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.1770 31, 1770 (1985).
26. S. Desgreniers and K. Lagarec, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.8467 59, 8467 (1999).
27. J. E. Lowther, J. K. Dewhurst, J. M. Leger, and J. Haines, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.14485 60, 14485 (1999).
28. R. Ruth and V. A. Patel, J. Am. Ceram. Soc. JACTAW 0002-7820 56, 606 (1973).
29. X. Zhao and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.233106 65, 233106 (2002).
30. Handbook of Chemistry and Physics, 85th ed. (CRC, Cleveland, 2004).
31. S. P. Bates, G. Kresse, and M. J. Gillan, Surf. Sci. SUSCAS 0039-6028 385, 368 (1997).
32. J. Adam and M. D. Rodgers, Acta Crystallogr. ACCRA9 0365-110X 10.1107/S0365110X59002742 12, 951 (1959).
33. A. A. Demkov, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/1521- 3951(200107)226:1<57::AID-PSSB57>3.0.CO;2-L 226, 57 (2001).
34. P. K. Boer and R. A. de Groot, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/10/45/011 10, 10241 (1998).
35. S. Sayan, T. Emge, E. Garfunkel, X. Zhao, L. Wielunski, R. A. Bartynski, D. Vanderbilt, J. S. Suehle, S. Suzer, and M. Banaszak-Holl, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1803107 96, 7485 (2004).