First-principles calculations of structural changes in B2O 3 glass under pressure

Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 17, 2008, Pages

  Trachenko, K ^a   Brazhkin, V V ^b   Ferlat, G ^c   Dove, M T ^a   Artacho, Emilio ^a,d  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b INSTITUTE FOR HIGH PRESSURE PHYSICS   (Russian Federation)

^c UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^d DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 56349161228     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.172102     Document Type: Article

References (21)

1. V. V. Brazhkin and A. G. Lyapin, J. Phys.: Condens. Matter 15, 6059 (2003), and references therein. 10.1088/0953-8984/15/36/301
2. E. Chason and F. Spaepen, J. Appl. Phys. 64, 4435 (1988). 10.1063/1.341266
3. M. Grimsditch, A. Polian, and A. C. Wright, Phys. Rev. B 54, 152 (1996). 10.1103/PhysRevB.54.152
4. A. C. Wright, C. E. Stone, R. N. Sinclair, N. Umesaki, N. Kitamura, K. Ura, N. Ohtori, and A. C. Hannon, Phys. Chem. Glasses 41, 296 (2000).
5. S. K. Lee, P. J. Eng, H. K. Mao, Y. Meng, M. Newville, M. Y. Hu, and J. F. Shu, Nature Mater. 4, 851 (2005). 10.1038/nmat1511
6. V. V. Brazhkin, Y. Katayama, K. Trachenko, O. B. Tsiok, A. G. Lyapin, E. Artacho, M. T. Dove, G. Ferlat, Y. Inamura, and H. Saitoh, Phys. Rev. Lett. 101, 035702 (2008). 10.1103/PhysRevLett.101.035702
7. A. Takada, Phys. Chem. Glasses 45, 156 (2004).
8. L. Huang, J. Nicholas, J. Kieffer, and J. Bass, J. Phys.: Condens. Matter 20, 075107 (2008). 10.1088/0953-8984/20/7/075107
9. Q. Xu, K. Kawamura, and T. Yokokawa, J. Non-Cryst. Solids 104, 261 (1988). 10.1016/0022-3093(88)90397-3
10. P. Ordejon, E. Artacho, and J. M. Soler, Phys. Rev. B 53, R10441 (1996) 10.1103/PhysRevB.53.R10441
11. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). 10.1088/0953-8984/14/11/302
12. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
13. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). 10.1103/PhysRevB.43.1993
14. G. Ferlat, L. Cormier, F. Mauri, E. Balan, G. Calas, T. Charpentier, and E. Anglada, Phys. Chem. Glasses 47, 441 (2006).
15. P. Umari and A. Pasquarello, Phys. Rev. Lett. 95, 137401 (2005). 10.1103/PhysRevLett.95.137401
16. K. Trachenko and M. T. Dove, Phys. Rev. B 67, 212203 (2003) 10.1103/PhysRevB.67.212203
17. K. Trachenko, M. T. Dove, V. V. Brazhkin, and F. S. Ela'kin, Phys. Rev. Lett. 93, 135502 (2004). 10.1103/PhysRevLett.93.135502
18. J. S. Knyrim, F. Roessner, S. Jakob, D. Johrendt, I. Kinski, R. Glaum, and H. Huppertz, Angew. Chem., Int. Ed. 46, 9097 (2007). 10.1002/anie.200703399
19. C. T. Prewitt and R. D. Shannon, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 24, 869 (1968) 10.1107/S0567740868003304
20. V. V. Brazhkin, Y. Katayama, Y. Inamura, M. V. Kondrin, A. G. Lyapin, S. V. Popova, and R. N. Voloshin, JETP Lett. 78, 393 (2003). 10.1134/1.1630134
21. D. Nieto-Sanz, P. Loubeyre, W. Crichton, and M. Mezouar, Phys. Rev. B 70, 214108 (2004). 10.1103/PhysRevB.70.214108