Finite-temperature properties of Ba(Zr,Ti)O 3 relaxors from first principles

Physical Review Letters

Volumn 108, Issue 25, 2012, Pages

  Akbarzadeh, A R ^a   Prosandeev, S ^b,c   Walter, Eric J ^d   Al Barakaty, A ^e   Bellaiche, L ^b  

^a RICE UNIVERSITY   (United States)

^b UNIVERSITY OF ARKANSAS   (United States)

^c SOUTHERN FEDERAL UNIVERSITY   (Russian Federation)

^d The College of William and Mary   (United States)

^e UMM AL QURA UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CRITICAL TEMPERATURES; POLAR NANOREGIONS; RANDOM FIELDS; RELAXOR BEHAVIOR; RELAXOR FERROELECTRIC; RELAXORS;

CALCULATIONS;

ZIRCONIUM;

EID: 84862532180     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.108.257601     Document Type: Article

References (54)

1. L.E. Cross, Ferroelectrics 151, 305 (1994). FEROA8 0015-0193 10.1080/00150199408244755
2. G. Burns and F.H. Dacol, Phys. Rev. B 28, 2527 (1983). PRBMDO 0163-1829 10.1103/PhysRevB.28.2527
3. G.A. Smolensky, Ferroelectrics and Related Materials (Gordon and Breach, New York, 1981).
4. V. Westphal, W. Kleemann, and M.D. Glinchuk, Phys. Rev. Lett. 68, 847 (1992). PRLTAO 0031-9007 10.1103/PhysRevLett.68.847
5. A.K. Tagantsev and A.E. Glazounov, Phys. Rev. B 57, 18 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.57.18
6. R. Pirc and R. Blinc, Phys. Rev. B 60, 13470 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.60.13470
7. I.-K. Jeong, T.W. Darling, J.K. Lee, Th. Proffen, and R.H. Heffner, Phys. Rev. Lett. 94, 147602 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.94.147602 (Pubitemid 40620449)
8. Y. Bai and L. Jin, J. Phys. D 41, 152008 (2008). JPAPBE 0022-3727 10.1088/0022-3727/41/15/152008
9. H. Vogel, Phys. Z. 22, 645 (1921). PHZTAO 0369-982X
10. G.S. Fulcher, J. Am. Ceram. Soc. 8, 339 (1925). JACTAW 0002-7820 10.1111/j.1151-2916.1925.tb16731.x
11. B. Dkhil, P. Gemeiner, A. Al-Barakaty, L. Bellaiche, E. Dul'kin, E. Mojaev, and M. Roth, Phys. Rev. B 80, 064103 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.80.064103
12. O. Svitelskiy, D. Orauttapong, J. Toulouse, W. Chen, and Z.G. Ye, Phys. Rev. B 72, 172106 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.72.172106 (Pubitemid 43017897)
13. S. Tinte, B.P. Burton, E. Cockayne, and U.V. Waghmare, Phys. Rev. Lett. 97, 137601 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.137601 (Pubitemid 44496546)
14. V.M. Ishchuk, V.N. Baumer, and V.L. Sobolev, J. Phys. Condens. Matter 17, L177 (2005). JCOMEL 0953-8984 10.1088/0953-8984/17/19/L01 (Pubitemid 40871866)
15. N. Takesue, Y. Fujii, M. Ichihara, and H. Chen, Phys. Rev. Lett. 82, 3709 (1999). PRLTAO 0031-9007 10.1103/PhysRevLett.82.3709
16. R. Blinc, A. Gregorovič, B. Zalar, R. Pirc, V.V. Laguta, and M.D. Glinchuk, Phys. Rev. B 63, 024104 (2000). PRBMDO 0163-1829 10.1103/PhysRevB.63. 024104
17. B.E. Vugmeister and M.D. Glinchuk, Rev. Mod. Phys. RMPHAT 0034-6861 62, 993 (1990). 10.1103/RevModPhys.62.993
18. D. Viehland, S.J. Jang, L.E. Cross, and M. Wuttig, J. Appl. Phys. 68, 2916 (1990). JAPIAU 0021-8979 10.1063/1.346425
19. E.V. Colla, E.Y. Koroleva, N.M. Okuneva, and S.B. Vakhrushev, Phys. Rev. Lett. 74, 1681 (1995). PRLTAO 0031-9007 10.1103/PhysRevLett.74.1681
20. I. Grinberg, P. Juhas, P.K. Davies, and A.M. Rappe, Phys. Rev. Lett. 99, 267603 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.99.267603
21. A. Al-Zein, J. Hlinka, J. Rouquette, and B. Hehlen, Phys. Rev. Lett. 105, 017601 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.105.017601
22. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 2004).
23. Z. Kutnjak, C. Filipič, R. Pirc, A. Levstik, R. Farhi, and M. El Marssi, Phys. Rev. B 59, 294 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.59.294
24. A. Levstik, Z. Kutnjak, C. Filipic, and R. Pirc, Phys. Rev. B 57, 11204 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.57.11204
25. S.F. Edwards and P.W. Anderson, J. Phys. F 5, 965 (1975). JPFMAT 0305-4608 10.1088/0305-4608/5/5/017
26. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.108.257601 for more details about the effective Hamiltonian used here and correlation function.
27. W. Zhong, D. Vanderbilt, and K.M. Rabe, Phys. Rev. B PRBMDO 0163-1829 52, 6301 (1995). 10.1103/PhysRevB.52.6301
28. L. Bellaiche and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 61, 7877 (2000). 10.1103/PhysRevB.61.7877
29. J. Iniguez and L. Bellaiche, Phys. Rev. B PRBMDO 1098-0121 73, 144109 (2006). 10.1103/PhysRevB.73.144109 (Pubitemid 43563389)
30. L. Bellaiche, A. García, and D. Vanderbilt, Phys. Rev. Lett. PRLTAO 0031-9007 84, 5427 (2000); 10.1103/PhysRevLett.84.5427
31. L. Bellaiche A. García D. Vanderbilt Ferroelectrics FEROA8 0015-0193 266, 41 (2002). 10.1080/00150190211456 (Pubitemid 44097193)
32. S. Prosandeev and L. Bellaiche, Phys. Rev. Lett. PRLTAO 0031-9007 97, 167601 (2006). 10.1103/PhysRevLett.97.167601 (Pubitemid 44611084)
33. P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 136, B864 (1964). 10.1103/PhysRev.136.B864
34. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 41, 7892 (1990). 10.1103/PhysRevB.41.7892
35. I.A. Kornev, L. Bellaiche, P.-E. Janolin, B. Dkhil, and E. Suard, Phys. Rev. Lett. PRLTAO 0031-9007 97, 157601 (2006). 10.1103/PhysRevLett.97.157601 (Pubitemid 44570399)
36. L. Walizer, S. Lisenkov, and L. Bellaiche, Phys. Rev. B PRBMDO 1098-0121 73, 144105 (2006). 10.1103/PhysRevB.73.144105 (Pubitemid 43563155)
37. Q. Zhang and I. Ponomareva, Phys. Rev. Lett. PRLTAO 0031-9007 105, 147602 (2010). 10.1103/PhysRevLett.105.147602
38. I. Ponomareva, L. Bellaiche, T. Ostapchuk, J. Hlinka, and J. Petzelt, Phys. Rev. B PRBMDO 1098-0121 77, 012102 (2008). 10.1103/PhysRevB.77.012102
39. J. Hlinka, T. Ostapchuk, D. Nuzhnyy, J. Petzelt, P. Kuzel, C. Kadlec, P. Vanek, I. Ponomareva, and L. Bellaiche, Phys. Rev. Lett. PRLTAO 0031-9007 101, 167402 (2008). 10.1103/PhysRevLett.101.167402
40. R.L.L. Withers and B. Nguyen, Appl. Phys. Lett. APPLAB 0003-6951 91, 152907 (2007). 10.1063/1.2790481 (Pubitemid 47568960)
41. T. Maiti, R. Gu, and A.S. Bhalla, J. Am. Ceram. Soc. 91, 1769 (2008). JACTAW 0002-7820 10.1111/j.1551-2916.2008.02442.x
42. A. García and D. Vanderbilt, in First-Principles Calculations For Ferroelectrics: Fifth Williamsburg Workshop, edited by R.E. Cohen (AIP, Woodbury, New York, 1998), p. 53.
43. K.M. Rabe and E. Cokayne, in First-Principles Calculations for Ferroelectrics: Fifth Williamsburg Workshop, edited by R.E. Cohen (AIP, Woodbury, New York, 1998), p. 61.
44. R. Fahri, M.E Marssi, A. Simon, and J.A. Ravez, Eur. Phys. J. B 9, 599 (1999). EPJBFY 1434-6028 10.1007/s100510050803
45. J. Mydosh, Spin Glasses: An Experimental Introduction (Taylor and Francis, London-Washington, DC, 1993), pp. 139-143.
46. A. Simon, J. Ravez, and M. Maglione, J. Phys. Condens. Matter 16, 963 (2004). JCOMEL 0953-8984 10.1088/0953-8984/16/6/023
47. C. Laulhé, A. Pasturel, F. Hippert, and J. Kreisel, Phys. Rev. B 82, 132102 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.132102
48. A. Dixit, S.B. Majumder, R.S. Katiyar, and A.S. Bhalla, J. Mater. Sci. 41, 87 (2006). JMTSAS 0022-2461 10.1007/s10853-005-5929-1 (Pubitemid 43260932)
49. A.M. George, J. Iñiguez, and L. Bellaiche, Phys. Rev. B 65, 180301 (R) (2002). PRBMDO 0163-1829 10.1103/PhysRevB.65.180301
50. S. Mori, N. Yamamoto, Y. Koyama, and Y. Uesu, Phys. Rev. B 52, 6158 (1995). PRBMDO 0163-1829 10.1103/PhysRevB.52.6158
51. A.R. Akbarzadeh, L. Bellaiche, K. Leung, J. Añiguez, and D. Vanderbilt, Phys. Rev. B 70, 054103 (2004). PRBMDO 1098-0121 10.1103/PhysRevB.70.054103
52. J. Toulouse, B.E. Vugmeister, and R. Pattnaik, Phys. Rev. Lett. 73, 3467 (1994). PRLTAO 0031-9007 10.1103/PhysRevLett.73.3467
53. B.E. Vugmeister and P. Adhikari, Ferroelectrics 157, 341 (1994). FEROA8 0015-0193 10.1080/00150199408229529
54. L.W. Wang, L. Bellaiche, S.H. Wei, and A. Zunger, Phys. Rev. Lett. 80, 4725 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.80.4725