Structural similarities between Ti metal and titanium oxides: Implications on the high-pressure behavior of oxygen in metallic matrices

Solid State Sciences

Volumn 6, Issue 8, 2004, Pages 809-814

  Vegas, A ^a   Mejia Lopez J ^b   Romero, A H ^c   Kiwi, M ^d   Santamaria Perez D ^a   Baonza, V G ^e  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

^c INSTITUTO POTOSINO DE INVESTIGACIÓN CIENTÍFICA Y TECNOLÓGICA   (Mexico)

^d PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^e UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

Density functional theory calculations; High pressure; Phase transformations; Titanium; Titanium dioxide

Indexed keywords

COMPRESSIBILITY; DIAMONDS; ELASTIC MODULI; MATRIX ALGEBRA; PHASE TRANSITIONS; PRESSURE EFFECTS;

METALLIC MATRICES; METASTABLE PHASES;

TITANIUM OXIDES;

OXYGEN; TITANIUM; TITANIUM DIOXIDE;

ARTICLE; CHEMICAL STRUCTURE; HYPERBARISM; MOLECULAR MECHANICS; MOLECULAR STABILITY; PHASE TRANSITION;

EID: 4143078249     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2004.04.004     Document Type: Article

References (43)

1. O'Keeffe M., Hyde B.G. Struct. Bonding. 61:1985;77
2. Vegas A., Jansen M. Acta Crystallogr. B. 58:2002;38
3. Vegas A., Grzechnik A., Syassen K., Loa I., Hanfland M., Jansen M. Acta Crystallogr. B. 57:2001;151
4. Vegas A., Martínez-Cruz L.A., Ramos-Gallardo A., Romero A. Z. Kristallogr. 210:1995;574
5. Andersson S. Acta Chem. Scand. 13:1959;415
6. Akahama Y., Kawamura H., Le Bihan T. Phys. Rev. Lett. 87:2001;275,503
7. Vohra Y.K., Spencer P.T. Phys. Rev. Lett. 86:2001;3068
8. Dubrovinsky L.S. Nature. 410:2001;653
9. Greeff C.W., Trinkle D.R., Albers R.C. J. Appl. Phys. 90:2001;2221
10. Joshi K.D., Jyoti G., Gupta S., Sikka S.K. Phys. Rev. B. 65:2002;052,106
11. Mehl M.J., Papaconstantopoulos D.A. Europhys. Lett. 60:2002;248
12. Aguayo A., Murrieta G., de Coss R. Phys. Rev. B. 65:2002;092,106
13. Kutepov A.L., Kutepova S.G. Phys. Rev. B. 67:2003;132,102
14. Ahuja R., Wills J.M., Johansson B., Eriksson O. Phys. Rev. B. 48:1993;16,269
15. Sanati M., Saxena A., Lookman T. Phys. Rev. B. 64:2001;092,101
16. Hohenberg P., Khon W. Phys. Rev. B. 136:1964;864
17. Kohn W., Sham L.J. Phys. Rev. A. 140:1965;1133
18. P. Blaha, K. Schwarz, J. Luitz, WIEN2K, A full potential linearized augmented plane wave package for calculating crystal properties, Technical University of Vienna, Vienna, 2000
19. Perdew J.P., Wang Y. Phys. Rev. B. 45:1992;13,244
20. Perdew J.P., Burke S., Ernzerhof M. Phys. Rev. Lett. 77:1996;3865
21. Böchl P.E., Jepsen O., Andersen O.K. Phys. Rev. B. 49:1994;16,223
22. Glassford K.M., Chelikowsky J.R. Phys. Rev. B. 46:1992;1284
23. Dewhurst J.K., Lowther J.E. Phys. Rev. B. 54:1996;R3673
24. Muscat J., Swamy V., Harrison N.M. Phys. Rev. B. 65:2002;224,112
25. Dewhurst J.K., Lowther J.E. Phys. Rev. B. 64:2001;014,104
26. Murnaghan F.D. Proc. Acad. Sci. USA. 30:1944;5390
27. Baonza V.G., Taravillo M., Cáceres M., Núñez J. Phys. Rev. B. 53:1996;5252
28. Moroni E.G., Grinvall G., Jarlborg T. Phys. Rev. Lett. 76:1996;2758
29. Ji X.Z., Jona F., Marcus P.M. Phys. Rev. B. 68:2003;075,421
30. Alcock N.W. Bonding and Structure: Structural Principles in Inorganic and Organic Chemistry. 1990;Ellis Horwood, New York
31. Martín Pendás A., Costales A., Blanco M.A., Recio J.M., Luaña V. Phys. Rev. B. 62:2000;13,970
32. Nitta M., Iino S., Fukai Y., Fukuota K., Syono Y. Phys. Rev. B. 58:1998;8301
33. Akahama Y., Kawamura H., Häusermann D., Hanfland M., Shimomura O. Phys. Rev. Lett. 74:1995;4690
34. Anderson O.L. Equations of State of Solids for Geophysics and Ceramic Science. 1995;Oxford Univ. Press, New York
35. Calatayud M., Mori-Sánchez P., Beltrán A., Martín Pendas A., Francisco E., Andrés J., Recio J.M. Phys. Rev. B. 64:2001;184,113
36. Boness D.A., Brown J.M. J. Geophys. Res. 95:1990;21,712
37. Haines J., Leger J.M., Hull S., Petitet J.P., Pereira A.S., Perottoni C.A., da Jornada J.A.H. J. Amer. Ceram. Soc. 80:1997;1910
38. Desgreniers S., Lagarec K. Phys. Rev. B. 59:1999;8467
39. Ohtaka O., et al. Phys. Rev. B. 63:2001;174,108
40. Gonschorek W. Z. Kristallogr. 160:1982;187
41. Howard C.J., Sabine T.M., Dickson F. Acta Crystallogr. B. 47:1991;462
42. Roberts W.T. J. Less-Common Met. 4:1962;345
43. Lagarec K., Desgreniers S. Solid State Commun. 94:1995;519