Phase transitions in disordered solids via hybrid Monte Carlo: The orthorhombic to cubic phase transition in (Mg,Mn)SiO3 perovskite

Chemical Communications

Volumn , Issue 8, 1999, Pages 707-708

  Purton, John A ^a,b   Allan, Neil L ^a   Blundy, Jon D ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

MINERAL; PEROVSKITE; SILICON DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; PHASE TRANSITION;

EID: 0033591037     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/a900303g     Document Type: Article

References (15)

1. Computer Modelling in Inorganic Crystallography, ed. C. R. A. Catlow Academic Press, SanDiego-London, 1997.
2. J. Brodholt, Am. Mineral, 1997, 82, 1049.
3. G. H. Gudfinnsson and B. J. Wood, Am. Mineral, 1998, 83, 1037.
4. M. Matsui and G. D. Price, Nature, 1991, 351, 735.
5. For example, B. J. Wood, R. T. Hackler and D. P. Dobson, Contrib. Miner. Petrol, 1994, 115, 438.
6. C. R. A. Catlow and G. D. Price, Nature, 1990, 347, 243 and references therein.
7. S. Duane, A. D. Kennedy, B. J. Pendleton and D. Roweth, Phys. Lett. B, 1987, 195, 216.
8. B. Mehlig, D. W. Heermann and B. M. Forrest, Phys. Rev. B, 1992, 45, 679.
9. M. E. Clamp, P. G. Baker, C. J. Stirling and A. Brass, J. Comput. Chem., 1994, 15, 838.
10. J. A. Purton, J. D. Blundy, M. B. Taylor, G. D. Barrera and N. L. Allan, Chem. Commun., 1998, 627.
11. J. A. Purton, G. D. Barrera, N. L. Allan and J. D. Blundy, J. Phys. Chem. B, 1998, 102, 5202.
12. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller and E. Teller, J. Chem. Phys., 1951, 21, 1087.
13. Q. Wang, J. K. Johnson and J. Q. Broughton, Mol. Phys., 1996, 89, 1105.
14. For example, E. Knittle and R. Jeanloz, Science, 1987, 235, 668; C. Meade. H. K. Mao and J. Hu, Science, 1995, 268, 1743. The second paper suggests that a possible reason for the failure of the authors of the first paper to observe an orthorhombic-cubic phase transition is the reversibility of the transition on quenching to room temperature conditions.
15. For example, E. Knittle and R. Jeanloz, Science, 1987, 235, 668; C. Meade. H. K. Mao and J. Hu, Science, 1995, 268, 1743. The second paper suggests that a possible reason for the failure of the authors of the first paper to observe an orthorhombic-cubic phase transition is the reversibility of the transition on quenching to room temperature conditions.