Studies of the phonon density of states in ab initio generated amorphous structures of pure silicon

Journal of Non-Crystalline Solids

Volumn 352, Issue 9-20 SPEC. ISS., 2006, Pages 1032-1036

  Valladares, Alexander ^a   Valladares, R M ^a   Alvarez Ramirez F ^b   Valladares, Ariel A ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

Author keywords

Ab initio; Density functional theory; Phonons; Silicon

Indexed keywords

COMPUTATIONAL METHODS; CRYSTAL ATOMIC STRUCTURE; PHONONS; RANDOM PROCESSES; SILICON; VIBRATION MEASUREMENT;

AB INITIO; CLASSICAL CALCULATIONS; DENSITY FUNCTIONAL THEORY; VIBRATIONAL MODES;

AMORPHOUS SILICON;

EID: 33745449756     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnoncrysol.2006.02.034     Document Type: Article

References (33)

1. Kamitakahara W.A., Shanks H.R., McClelland J.F., Buchenau U., Gompf F., and Pintschovius L. Phys Rev. Lett. 52 (1984) 644
2. Kamitakahara W.A., Soukoulis C.M., Shanks H.R., Buchenau U., and Grest G.S. Phys. Rev. B 36 (1987) 6539
3. Alben R., Weaire D., Smith Jr. J.E., and Brodsky M.H. Phys. Rev. B 11 (1975) 2271
4. Martínez E., and Ynduráin F. Solid State Commun. 44 (1982) 1477
5. Martínez E., and Cardona M. Phys. Rev. B 28 (1983) 880
6. Weaire D., and Wooten F. J. Non-Cryst. Solids 35&36 (1980) 495
7. Maley N., Lannin J.S., and Price D.L. Phys Rev. Lett. 56 (1986) 1720
8. Nakhmanson S.M., and Drabold D.A. Phys. Rev. B 58 (1998) 15325
9. Nakhmanson S.M., and Drabold D.A. J. Non-Cryst. Solids 266-269 (2000) 156
10. Wooten F., Winer K., and Weaire D. Phys. Rev. Lett. 54 (1985) 1392
11. Biswas P. Phys. Rev. B 65 (2002) 125208-1
12. Car R., and Parrinello M. Phys. Rev. Lett. 60 (1988) 204
13. Drabold D.A., Fedders P.A., Sankey O.F., and Dow J.D. Phys. Rev. B 42 (1990) 5135
14. Feldman J.L., Bernstein N., Papaconstantopoulos D.A., and Mehl M.J. Phys. Rev. B 70 (2004) 165201-1
15. Valladares A.A., Alvarez F., Liu Z., Stitch J., and Harris J. Eur. Phys. J. B 22 (2001) 443
16. Alvarez F., and Valladares A.A. Appl. Phys Lett. 80 (2002) 58
17. Alvarez F., Díaz C.C., Valladares A.A., and Valladares R.M. Phys. Rev. B 65 (2002) 113108-1
18. Alvarez F., and Valladares A.A. J. Non-Cryst. Solids 299-302 (2002) 259
19. Alvarez F., and Valladares A.A. Rev. Mex. Fís. 48 (2002) 528
20. Alvarez F., and Valladares A.A. Solid State Commun. 127 (2003) 483
21. Alvarez F., and Valladares A.A. Phys. Rev. B 68 (2003) 205203-1
22. Loustau E.R.L., Valladares R.M., and Valladares A.A. J. Non-Cryst. Solids 338-340 (2004) 416
23. Romero C., Mata Z., Lozano M., Barrón H., Valladares R.M., Alvarez F., and Valladares A.A. J. Non-Cryst. Solids 338-340 (2004) 513
24. Peña E.Y., Mejía M., Reyes J.A., Valladares R.M., Alvarez F., and Valladares A.A. J. Non-Cryst. Solids 338-340 (2004) 258
25. Valladares A.A., and Alvarez-Ramírez F. Phys. Rev. B 73 (2006) 024206-1
26. Ariel A. Valladares, Generating amorphous and liquid aluminum: a new approach, submitted for publication.
27. Harris J. Phys. Rev. B 31 (1985) 1770
28. FastStructure SimAnn, User Guide, Release 4.0.0 (San Diego, Molecular Simulations, Inc., September 1996).
29. Li X.-P., Andzelm J., Harris J., and Chaka A.M. In: Laird B.B., Ross R.B., and Ziegler T. (Eds). Chemical Applications of Density-Functional Theory (1996), American Chemical Society, Washington, DC chapter 26
30. OXON: Oxford Order N package, developed at the Materials Modeling Laboratory of the Department of Materials at the University of Oxford, UK.
31. Tersoff J. Phys. Rev. B 39 (1989) 5566
32. MS Modeling 3.2, Accelrys, Inc., 2005.
33. Elliott S.R. Physics of Amorphous Materials. 2nd Ed. (1990), Longman and John Wiley p. 186