Structural and electronic properties of cubic HfO2 surfaces

Computational Materials Science

Volumn 44, Issue 1, 2008, Pages 46-52

  Chen, G H ^a   Hou, Z F ^a   Gong, X G ^a  

^a FUDAN UNIVERSITY   (China)

Author keywords

First principles; HfO2; High ; Surfaces

Indexed keywords

HAFNIUM COMPOUNDS;

FIRST-PRINCIPLES; FIRST-PRINCIPLES METHODS; GENERALIZED GRADIENT APPROXIMATION; HFO2; SURFACES; SYSTEMATIC STUDY;

ELECTRONIC PROPERTIES;

EID: 53849142937     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.01.051     Document Type: Article

References (31)

1. Wilk G.D., Wallace R.M., and Anthony J.M. J. Appl. Phys. 89 (2001) 5243
2. Intel, Meet the world's first 45 nm processor, see for example, (January 2006).
3. Knizhnik A.A., Safonov A.A., Iskandarova I.M., Bagatur'yants A.A., Potapkin B.V., Fonseca L.R.C., and Stoker M.W. J. Appl. Phys. 99 (2006) 084104
4. Gavrikov A.V., Knizhnik A.A., Bagatur'yants A.A., Potapkin B.V., Fonseca L.R.C., Stoker M.W., and Schaeffer J. J. Appl. Phys. 101 (2007) 014310
5. Fiorentini V., and Gulleri G. Phys. Rev. Lett. 89 (2002) 266101
6. Puthenkovilakam R., and Chang J.P. J. Appl. Phys. 96 (2004) 2701
7. Peacock P.W., and Robertson J. Phys. Rev. Lett. 92 (2004) 057601
8. Peacock P.W., Xiong K., Tse K., and Robertson J. Phys. Rev. B 73 (2006) 075328
9. Sharia O., Demkov A.A., Bersuker G., and Lee B.H. Phys. Rev. B 75 (2007) 035306
10. Mukhopadhyay A.B., Sanz J.F., and Musgrave C.B. Phys. Rev. B 73 (2006) 115330
11. Ho M.Y., Gong H., Wilk G.D., Busch B.W., Green M.L., Voyles P.M., Muller D.A., Bude M., Lin W.H., See A., Loomans M.E., Lahiri S.K., and Räisänen P.I. J. Appl. Phys. 93 (2003) 1477
12. Triyoso D., Liu R., Roan D., Ramon M., Edwards N.V., Gregory R., Werho D., Kulik J., Tam G., Irwin E., Wang X.D., La L.B., Hobbs C., Garcia R., Baker J., White B.E., and Tobin P. J. Electrochem. Soc. 151 (2004) 220
13. Aarik J., Aidla A., Mändar H., Sammelselg V., and Uustare T. J. Cryst. Growth 220 (2000) 105
14. Aarik J., Mändar H., Kirm M., and Pung L. Thin Solid Films 466 (2004) 41
15. Kukli K., Aarik J., Ritala M., Uustare T., Sajavaara T., Lu J., Sundqvist J., Aidla A., Pung L., Hårsta A., and Leselä M. J. Appl. Phys. 96 (2004) 5298
16. Zenkevich A., Lebedinskii Y., Pushkin M., and Nevolin V. Appl. Phys. Lett. 89 (2006) 172903
17. Jaffe J.E., Bachorz R.A., and Gutowski M. Phys. Rev. B 72 (2005) 144107
18. Kresse G., and Furthmüller J. Comput. Mater. Sci. 6 (1996) 15
19. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
20. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
21. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
22. Kresse G., and Hafner J. J. Phys.: Condens. Mat. 6 (1994) 8245
23. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
24. Davison E.R. In: Diercksen G.H.F., and Wilson S. (Eds). Methods in Computational Molecular Physics. NATO Advanced Study Institute, Series C vol. 113 (1983), Plenum, New York
25. Kang J., Lee E.C., and Chang K.J. Phys. Rev. B 68 (2003) 054106
26. Wang J., Li H.P., and Stevens R. J. Mater. Sci. 27 (1992) 5397
27. Caravaca M.A., and Casali R.A. J. Phys.: Condens. Mat. 17 (2005) 5795
28. Terki R., Feraoun H., Bertrand G., and Aourag H. Comput. Mater. Sci. 33 (2005) 44
29. Foster A.S., Gejo F.L., Shluger A.L., and Nieminen R.M. Phys. Rev. B 65 (2002) 174117
30. Rosa A.L., and Neugebauer J. Phys. Rev. B 73 (2006) 205346
31. Christensen A., and Carter E.A. Phys. Rev. B 58 (1998) 8050