Towards the accurate electronic structure descriptions of typical high-constant dielectrics

Journal of Physics D: Applied Physics

Volumn 44, Issue 18, 2011, Pages

  Jiang, Ting Ting ^a   Sun, Qing Qing ^a   Li, Ye ^a   Guo, Jiao Jiao ^a   Zhou, Peng ^a   Ding, Shi Jin ^a   Zhang, David Wei ^a  

^a FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAPS; EXPERIMENTAL DEVELOPMENT; EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; GATE OXIDE; GENERALIZED GRADIENT APPROXIMATIONS; HIGH-DENSITY METAL; HIGH-K DIELECTRIC; HYBRID DENSITY; METAL OXIDE SEMICONDUCTOR; THEORETICAL INVESTIGATIONS;

APPROXIMATION THEORY; BAND STRUCTURE; CALCULATIONS; ELECTRONIC STRUCTURE; GATE DIELECTRICS; HAFNIUM COMPOUNDS; HYBRID MATERIALS; LANTHANUM; METAL INSULATOR BOUNDARIES; MOS DEVICES; ZIRCONIUM ALLOYS;

DENSITY FUNCTIONAL THEORY;

EID: 79955542222     PISSN: 00223727     EISSN: 13616463     Source Type: Journal    
DOI: 10.1088/0022-3727/44/18/185402     Document Type: Article

References (27)

1. Wilk G D et al 2001 J. Appl. Phys. 89 5243
2. Robertson J 2006 Rep. Prog. Phys. 69 327
3. Scopel W L et al 2004 Appl. Phys. Lett. 84 1492
4. Foster A S et al 2002 Phys. Rev. B 65 174117
5. Foster A S et al 2001 Phys. Rev. B 64 224108
6. Janesko B G et al 2009 Phys. Chem. Chem. Phys. 11 443
7. Heyd J et al 2003 J. Chem. Phys. 118 8207
8. Heyd J et al 2006 J. Chem. Phys. 124 219906(E)
9. Perdew J P et al 1996 Phys. Rev. Lett. 77 3865
10. Krukau A et al 2006 J. Chem. Phys. 125 224106
11. Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
12. Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15
13. Blöchl P E et al 1994 Phys. Rev. B 50 17953
14. Oetzel M and Heger G 1999 J. Appl. Crystallogr. 32 799
15. Hann R E et al 1985 J. Am. Ceram. Soc. 68 C285
16. Winterer M et al 2002 J. Appl. Crystallogr. 35 434
17. Aldebert P and Traverse J P 1979 Mater. Res. Bull. 14 303
18. Hazen R M and Finger L W 1979 Am. Mineral. 64 196
19. Speer J A and Cooper B J 1982 Am. Mineral. 67 804
20. Ye P D et al 2004 J. Electron. Mater. 33 912
21. Lee C H et al 2005 Appl. Phys. Lett. 86 152908
22. Li H J and Gardner M I 2005 IEEE Electron Device Lett. 26 441
23. Fang C M and de Groot R A 2007 J. Phys.: Condens. Matter 19 386223
24. Martinez F L et al 2007 J. Phys. D: Appl. Phys. 40 5256
25. Kato H et al 2002 J. Appl. Phys. 92 1106
26. Hattori T et al 2004 Microelectron. Eng. 72 283
27. Balog M et al 1977 Thin Solid Films 47 109