Local free energy in the paraelectric phase of barium titanate

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 14, 2009, Pages

  Geneste, Grégory ^a  

^a LABORATOIRE STRUCTURES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 65149104068     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.144104     Document Type: Article

References (36)

1. W. P. Mason and B. T. Matthias, Phys. Rev. 74, 1622 (1948). 10.1103/PhysRev.74.1622
2. J. C. Slater, Phys. Rev. 78, 748 (1950). 10.1103/PhysRev.78.748
3. E. T. Jaynes, Phys. Rev. 79, 1008 (1950). 10.1103/PhysRev.79.1008.2
4. W. Cochran, Adv. Phys. 9, 387 (1960).
5. W. Cochran, Phys. Status Solidi 30, K157 (1968). 10.1002/pssb.19680300267
6. J. Harada, J. D. Axe, and G. Shirane, Phys. Rev. B 4, 155 (1971). 10.1103/PhysRevB.4.155
7. P. A. Fleury and J. M. Worlock, Phys. Rev. 174, 613 (1968). 10.1103/PhysRev.174.613
8. K. A. Muller and W. Berlinger, Phys. Rev. B 34, 6130 (1986). 10.1103/PhysRevB.34.6130
9. W. Zhong, D. Vanderbilt, and K. M. Rabe, Phys. Rev. B 52, 6301 (1995). 10.1103/PhysRevB.52.6301
10. M. Stachiotti, A. Dobry, R. Migoni, and A. Bussmann-Holder, Phys. Rev. B 47, 2473 (1993). 10.1103/PhysRevB.47.2473
11. A. Bussmann-Holder and A. R. Bishop, Phys. Rev. B 56, 5297 (1997). 10.1103/PhysRevB.56.5297
12. A. Bussmann-Holder, Physica B 263-264, 408 (1999). 10.1016/S0921-4526(98) 01398-2
13. Ph. Ghosez, Ph.D. thesis, Université Catholique de Louvain, 1997.
14. W. Zhong, D. Vanderbilt, and K. M. Rabe, Phys. Rev. Lett. 73, 1861 (1994). 10.1103/PhysRevLett.73.1861
15. I. A. Kornev, L. Bellaiche, P.-E. Janolin, B. Dkhil, and E. Suard, Phys. Rev. Lett. 97, 157601 (2006). 10.1103/PhysRevLett.97.157601 (Pubitemid 44570399)
16. I. A. Kornev, S. Lisenkov, R. Haumont, B. Dkhil, and L. Bellaiche, Phys. Rev. Lett. 99, 227602 (2007). 10.1103/PhysRevLett.99.227602 (Pubitemid 350198420)
17. G. Geneste, E. Bousquet, and Ph. Ghosez, J. Comput. Theor. Nanosci. 5, 517 (2008).
18. M. I. Marqués, Phys. Rev. B 71, 174116 (2005). 10.1103/PhysRevB.71.174116
19. D. Alfè and M. J. Gillan, J. Chem. Phys. 127, 114709 (2007). 10.1063/1.2772258 (Pubitemid 47462035)
20. G. Boisvert, N. Mousseau, and L. J. Lewis, Phys. Rev. B 58, 12667 (1998). 10.1103/PhysRevB.58.12667
21. G. Geneste, Phys. Rev. B 79, 064101 (2009). 10.1103/PhysRevB.79.064101
22. G. Geneste, arXiv:0901.3571 (unpublished).
23. M. Parrinello and A. Rahman, Phys. Rev. Lett. 45, 1196 (1980). 10.1103/PhysRevLett.45.1196
24. S. Nosé, J. Chem. Phys. 81, 511 (1984). 10.1063/1.447334
25. S. Nosé, Mol. Phys. 57, 187 (1986). 10.1080/00268978600100141
26. W. G. Hoover, Phys. Rev. A 31, 1695 (1985). 10.1103/PhysRevA.31.1695
27. T. Nishimatsu, U. V. Waghmare, Y. Kawazoe, and D. Vanderbilt, Phys. Rev. B 78, 104104 (2008). 10.1103/PhysRevB.78.104104
28. J. Íñiguez, S. Ivantchev, J. M. Perez-Mato, and A. Garcia, Phys. Rev. B 63, 144103 (2001). 10.1103/PhysRevB.63.144103
29. G. Geneste (unpublished).
30. In the present case, the vanishing of this parameter does not correspond to any phase transition.
31. B. Zalar, V. V. Laguta, and R. Blinc, Phys. Rev. Lett. 90, 037601 (2003). 10.1103/PhysRevLett.90.037601
32. B. Zalar, A. Lebar, J. Seliger, R. Blinc, V. V. Laguta, and M. Itoh, Phys. Rev. B 71, 064107 (2005). 10.1103/PhysRevB.71.064107
33. R. Comes, M. Lambert, and A. Guinier, Solid State Commun. 6, 715 (1968). 10.1016/0038-1098(68)90571-1
34. A. S. Chaves, F. C. S. Barreto, R. A. Nogueira, and B. Zks, Phys. Rev. B 13, 207 (1976). 10.1103/PhysRevB.13.207
35. J. Hlinka, T. Ostapchuk, D. Nuzhnyy, J. Petzelt, P. Kuzel, C. Kadlec, P. Vanek, I. Ponomareva, and L. Bellaiche, Phys. Rev. Lett. 101, 167402 (2008). 10.1103/PhysRevLett.101.167402
36. G. Volkel and K. A. Muller, Phys. Rev. B 76, 094105 (2007). 10.1103/PhysRevB.76.094105