First-principles calculations of the band gap of Hfx Si1-x O2 and Zrx Si1-x O2 alloys

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 11, 2007, Pages

  Nakhmedov, E P ^a,b   Nadimi, E ^a   Bouhassoune, M ^a   Radehaus, C ^a   Wieczorek, K ^c  

^a CHEMNITZ UNIVERSITY OF TECHNOLOGY   (Germany)

^b INSTITUTE OF PHYSICS   (Azerbaijan)

^c IBM MICROELECTRONICS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33947544073     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.115204     Document Type: Article

References (47)

1. The International Technology Roadmap for Semiconductors, available from http://public.itrs.net
2. M. Gutowski, J. E. Jaffe, C.-Li Liu, M. Stoker, R. I. Hegde, R. S. Rai, and P. J. Tobin, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1458692 80, 1897 (2002).
3. G. D. Wilk, R. M. Wallace, and J. M. Anthony, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.371888 87, 484 (2000);
4. G. D. Wilk, R. M. Wallace, and J. M. Anthony, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1361065 89, 5243 (2001).
5. T. H. Di Stefano and D. E. Eastman, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(71)90643-0 9, 2259 (1975).
6. R. Puthenkovilakam and J. P. Chang, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1778213 96, 2701 (2004).
7. G. Lucovsky and G. B. Rayner, Jr., Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1320860 77, 2912 (2000).
8. S. H. Wei, L. G. Ferreira, J. E. Bernard, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42.9622 42, 9622 (1990).
9. A. Sher, M. van Schilfgaarde, A.-B. Chen, and W. Chen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.36.4279 36, 4279 (1987).
10. L. K. Teles, J. Furthmüller, L. M. R. Scolfaro, J. R. Leite, and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.2475 62, 2475 (2000).
11. M. Ferhat and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.075213 65, 075213 (2002).
12. F. Sökeland, M. Rohlfing, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.075203 68, 075203 (2003).
13. R. H. French, S. J. Glass, F. S. Ohuchi, Y. N. Xu, and W. Y. Ching, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.5133 49, 5133 (1994).
14. Y. P. Li and W. Y. Ching, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.2172 31, 2172 (1985).
15. H. J. F. Jansen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.7267 43, 7267 (1991).
16. B. Kralik, E. K. Chang, and S. G. Louie, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.7027 57, 7027 (1998).
17. X. Zhao and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.233106 65, 233106 (2002).
18. J. E. Jaffe, R. A. Bachorz, and M. Gutowski, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.144107 72, 144107 (2005).
19. J. Robertson, Solid-State Electron. SSELA5 0038-1101 10.1016/j.sse.2004. 11.011 49, 283 (2005).
20. G.-M. Rignanese, X. Gonze, and A. Pasquarello, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.104305 63, 104305 (2001).
21. G.-M. Rignanese, F. Detraux, X. Gonze, and A. Pasquarello, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.134301 64, 134301 (2001).
22. G.-M. Rignanese, X. Gonze, G. Jun, K. Cho, and A. Pasquarello, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.184301 69, 184301 (2004).
23. R. Puthenkovilakam, E. A. Carter, and J. P. Chang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.155329 69, 155329 (2004).
24. G.-M. Rignanese, F. Detraux, X. Gonze, A. Bongiorno, and A. Pasquarello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.117601 89, 117601 (2002).
25. J. M. Sanchez, F. Ducastelle, and D. Gratias, Physica A PHYADX 0378-4371 10.1016/0378-4371(84)90096-7 128, 334 (1984).
26. A.-B. Chen and A. Sher, Semiconductor Alloys (Plenum Press, New York, 1995).
27. H. Kato, T. Nango, T. Miyagawa, T. Katagiri, and Y. Ohki, International Workshop on Gate Insulator (IWGI), Tokyo, 2001, p. 166.
28. A. Callegari, E. Cartier, M. Gribelyuk, H. F. Okorn-Schmidt, and T. Zabel, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1417991 90, 6466 (2001).
29. J. W. D. Connolly and A. R. Williams, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.27.5169 27, 5169 (1983).
30. R. W. G. Wyckoff, Crystal Structures (Interscience, New York, 1965).
31. C. J. Howard, R. J. Hill, and B. E. Reichert, Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 0108-7681 10.1107/S0108768187010279 44, 116 (1988).
32. E. Ryshkewitch and D. W. Richerson, Oxide Ceramics. Physical Chemistry and Technology (Academic Press, Orlando, 1985).
33. O. Ohtaka, T. Yamanaka, and S. Kume, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1151-2916.1991.tb04051.x 74, 505 (1991).
34. P. Aldebert and J. P. Traverse, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1151-2916.1985.tb15247.x 68, 34 (1985).
35. C. J. Howard, R. J. Hill, and B. E. Reichert, Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 0108-7681 10.1107/S0108768187010279 44, 116 (1988).
36. J. Wang, H. P. Li, and R. Stevens, J. Mater. Sci. JMTSAS 0022-2461 10.1007/BF00541601 27, 5397 (1992).
37. D. M. Adams, S. Leonard, D. R. Russel, and R. J. Cernik, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(91)90052-2 52, 1181 (1991).
38. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992);
39. http://www.abinit.org
40. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
41. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
42. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
43. C. Hartwigsen, S. Goedecker, and J. Hutter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.3641 58, 3641 (1998).
44. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.13.5188 13, 5188 (1976).
45. F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/61/3/002 61, 237 (1998).
46. G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
47. E. A. Guggenheim, Mixtures (Oxford, Clarendon Press, 1952).