Antiferroelectricity and ferroelectricity in epitaxially strained PbZrO3 from first principles

Physical Review B - Condensed Matter and Materials Physics

Volumn 88, Issue 18, 2013, Pages

  Reyes Lillo, Sebastian E ^a   Rabe, Karin M ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84888328966     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.88.180102     Document Type: Article

References (38)

1. K. M. Rabe, in Functional Metal Oxides: New Science and Novel Applications, edited by, Satish Ogale, and, V. Venkateshan, (Wiley, Hoboken, NJ, 2013).
2. M. E. Lines and A. M. Glass, Principles and Applications of Ferroelectrics (Clarendon, Oxford, UK, 1977).
3. Physics of Ferroelectrics: A Modern Perspective, edited by K. Rabe, Ch. H. Ahn, and J.-M. Triscone (Springer, Berlin, 2007).
4. D. Berlincourt, IEEE Trans. Sonics Ultrason. IESUAU 0018-9537 10.1109/T-SU.1966.29394 13, 116 (1966).
5. S.-T. Zhang, A. B. Kounga, W. Jo, C. Jamin, K. Seifert, T. Granzow, J. Rödel, and D. Damjanovic, Adv. Mater. 21, 4716 (2009).
6. B. Jaffe, Proc. IRE PIREAE 0096-8390 10.1109/JRPROC.1961.287917 49, 1264 (1961).
7. G. R. Love, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1151-2916.1990. tb06513.x 73, 323 (1990).
8. A. S. Mischenko, Q. Zhang, J. F. Scott, R. W. Whatmore, and N. D. Mathur, Science SCIEAS 0036-8075 10.1126/science.1123811 311, 1270 (2006). (Pubitemid 43334712)
9. G. Shirane, E. Sawaguchi, and Y. Takagi, Phys. Rev. 10.1103/PhysRev.84. 476 84, 476 (1951);
10. G. Shirane, Phys. Rev. 10.1103/PhysRev.86.219 86, 219 (1952);
11. G. Shirane and S. Hoshino, Acta Crystallogr. PHRVAO 0031-899X 10.1103/PhysRev.84.476 7, 203 (1954).
12. H. Liu and B. Dkhil, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.2011.1336 226, 163 (2011).
13. X. Tan, C. Ma, J. Frederick, S. Beckman, and K. G. Webber, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1551-2916.2011.04917.x 94, 4091 (2011).
14. H. Fujishita, Y. Shiozaki, N. Achiwa, and E. Sawaguchi, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.51.3583 51, 3583 (1982).
15. H. Fujishita and S. Hoshino, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.53.226 53, 226 (1984).
16. O. E. Fesenko, R. V. Kolesova, and Y. G. Sindeyev, Ferroelectrics FEROA8 0015-0193 10.1080/00150197808237203 20, 177 (1978).
17. E. Sawaguchi, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.8.615 8, 615 (1953).
18. D. Viehland, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.778 52, 778 (1995).
19. P. Ayyub, S. Chattopadhyay, R. Pinto, and M. S. Multani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.R5559 57, R5559 (1998).
20. A. R. Chaudhuri, M. Arredondo, A. Hähnel, A. Morelli, M. Becker, M. Alexe, and I. Vrejoiu, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.054112 84, 054112 (2011).
21. K. Yamakawa, K. W. A. Gachigi, S. Trolier-McKinstry, and J. P. Dougherty, Ferroelectr., Lett. Sect. FELEDJ 0731-5171 10.1080/07315179608204733 20, 149 (1996).
22. L. Pintilie, K. Boldyreva, M. Alexe, and D. Hesse, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2831023 103, 024101 (2008). (Pubitemid 351190732)
23. Y. Liu, X. Lu, Y. Jin, S. Peng, F. Huang, Y. Kan, T. Xu, K. Min, and J. Zhu, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.4720146 100, 212902 (2012).
24. X. Gonze, B. Amadon, P. Anglade, J. M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007 180, 2582 (2009).
25. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
26. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.1651 47, R1651 (1993).
27. J. W. Bennett, Phys. Procedia 1875-3892 10.1016/j.phpro.2012.05.003 34, 14 (2012).
28. http://opium.sourceforge.net.
29. N. Zhang, H. Yokota, A. M. Glazer, and P. A. Thomas, Acta Crystallogr. B ASBSDK 0108-7681 10.1107/S010876811103936X 67, 461 (2011).
30. N. A. Pertsev, A. G. Zembilgotov, and A. K. Tagantsev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.1988 80, 1988 (1998).
31. O. Dieguez, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.144101 72, 144101 (2005). (Pubitemid 43022338)
32. P. Ghosez, E. Cockayne, U. V. Waghmare, and K. M. Rabe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.60.836 60, 836 (1999).
33. D. I. Woodward and I. M. Reaney, Acta Crystallogr. B ASBSDK 0108-7681 10.1107/S0108768105015521 61, 387 (2005). (Pubitemid 41557392)
34. H. Fujishita, Y. Ishikawa, S. Tanaka, A. Ogawaguchi, and S. Katano, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.72.1426 72, 1426 (2003).
35. D. J. Singh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.12559 52, 12559 (1995).
36. M. D. Johannes and D. J. Singh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.212101 71, 212101 (2005). (Pubitemid 41703041)
37. R. Kagimura and D. J. Singh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.104113 77, 104113 (2008).
38. K. Boldyreva 1, D. Bao, G. Le Rhun, L. Pintilie, M. Alexe, and D. Hesse, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2769335 102, 044111 (2007). (Pubitemid 47352455)