Influence of in-plane biaxial stress on the structural properties, ferroelectric response, and piezoelectricity of tetragonal PbTiO3

Journal of Applied Physics

Volumn 105, Issue 3, 2009, Pages

  Duan, Yifeng ^a   Qin, Lixia ^a   Tang, Gang ^a   Chen, Changqing ^b  

^a CHINA UNIVERSITY OF MINING AND TECHNOLOGY   (China)

^b XI'AN JIAOTONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BEAMS AND GIRDERS; CRYSTALLOGRAPHY; PIEZOELECTRIC TRANSDUCERS; PIEZOELECTRICITY; TENSILE STRESS;

BIAXIAL STRESS; BIAXIAL TENSILE STRESS; FERROELECTRIC RESPONSE; FIRST PRINCIPLES; IN PLANES; PARAELECTRIC; PIEZOELECTRIC RESPONSE; PIEZOELECTRIC STRAIN COEFFICIENTS; PIEZOELECTRIC STRESS COEFFICIENTS; TETRAGONAL SYMMETRIES; UNDERLYING MECHANISMS;

TENSILE STRENGTH;

EID: 60449091659     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3077231     Document Type: Article

References (42)

1. T. Tanaka, Ferroelectrics 40, 167 (1982). 0015-0193
2. L. M. Sheppard, Ceram. Bull. 71, 85 (1992).
3. M. E. Lines and A. M. Glass, Principles and Applications of Ferroelectrics and Related Materials (Clarendon, Oxford, 1979).
4. K. Uchino, Piezoelectric Actuators and Ultrasonic Motors (Kluwer-Academic, Dordrecht, 1996).
5. S. E. Park and T. R. Shrout, J. Appl. Phys. 0021-8979 10.1063/1.365983 82, 1804 (1997).
6. Z. Kutnjak, J. Petzelt, and R. Blinc, Nature (London) 0028-0836 10.1038/nature04854 441, 956 (2006).
7. R. E. Cohen, Nature (London) 0028-0836 10.1038/441941a 441, 941 (2006).
8. B. Noheda, D. E. Cox, G. Shirane, S. E. Park, L. E. Cross, and Z. Zhong, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.3891 86, 3891 (2001).
9. Q. Wan, C. Chen, and Y. P. Shen, J. Appl. Phys. 0021-8979 10.1063/1.1985979 98, 024103 (2005).
10. Q. Wan, C. Chen, and Y. P. Shen, J. Mater. Sci. 0022-2461 10.1007/s10853-006-6766-6 41, 2993 (2006).
11. T. Egami, W. Dmowski, M. Akbas, and P. K. Davies, First-Principles Calculations for Ferroelectrics: Fifth Williamsburg Workshop, edited by, R. E. Cohen, (AIP, Woodbury, New York, 1998), pp. 1-10.
12. H. Fu and R. E. Cohen, Nature (London) 0028-0836 10.1038/35002022 403, 281 (2000).
13. G. Shirane, Acta Crystallogr. 9, 131 (1956). 0365-110X
14. G. Burns and B. A. Scott, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 25.167 25, 167 (1970).
15. A. García and D. Vanderbilt, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.3817 54, 3817 (1996).
16. Z. Wu, G. Sághi-Szabó, R. E. Cohen, and H. Krakauer, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.94.069901 94, 069901 (2005).
17. U. V. Waghmare and K. M. Rabe, Phys. Rev. B 0163-1829 10.1103/PhysRevB.55.6161 55, 6161 (1997).
18. G. Sághi-Szabó, R. E. Cohen, and H. Krakauer, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.80.4321 80, 4321 (1998).
19. M. Posternak, R. Resta, and A. Baldereschi, Phys. Rev. B 0163-1829 10.1103/PhysRevB.50.8911 50, 8911 (1994).
20. W. Zhong and D. Vanderbilt, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.74.2587 74, 2587 (1995).
21. Y. Kuroiwa, S. Aoyagi, A. Sawada, J. Harada, E. Nishibori, M. Takata, and M. Sakata, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.87.217601 87, 217601 (2001).
22. Z. Wu and H. Krakauer, Phys. Rev. B 0163-1829 10.1103/PhysRevB.68.014112 68, 014112 (2003).
23. E. H. Kisi, R. O. Piltz, J. S. Forrester, and C. J. Howard, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/15/21/311 15, 3631 (2003).
24. C. Wang, Y. Duan, and C. Chen, Chin. Phys. Lett. 26, 017203 (2009). 0256-307X
25. S. Tinte, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B 0163-1829 10.1103/PhysRevB.68.144105 68, 144105 (2003).
26. G. A. Samara, T. Sakudo, and K. Yoshimitsu, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.35.1767 35, 1767 (1975).
27. Z. Wu and R. E. Cohen, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.95. 037601 95, 037601 (2005).
28. Y. Duan, H. Shi, and L. Qin, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/20/17/175210 20, 175210 (2008).
29. R. E. Cohen, Nature (London) 0028-0836 10.1038/358136a0 358, 136 (1992).
30. I. A. Kornev, L. Bellaiche, P. Bouvier, P. E. Janolin, B. Dkhil, and J. Kreisel, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.95.196804 95, 196804 (2005).
31. E. Bousquet and P. Ghosez, Phys. Rev. B 0163-1829 10.1103/PhysRevB.74. 180101 74, 180101 (2006).
32. Y. Duan, J. Li, S. -S. Li, J. -B. Xia, and C. Chen, J. Appl. Phys. 0021-8979 10.1063/1.2912721 103, 083713 (2008).
33. X. Gonze, J. -M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. -M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J. -Y. Raty, and D. C. Allan, Comput. Mater. Sci. 0927-0256 10.1016/S0927-0256(02)00325-7 25, 478 (2002).
34. A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B 0163-1829 10.1103/PhysRevB.41.1227 41, 1227 (1990).
35. D. J. Singh, Planewaves, Pseudopotential, and the LAPW Method (Kluwer-Academic, Dordrecht, 1994).
36. X. Gonze and C. Lee, Phys. Rev. B 0163-1829 10.1103/PhysRevB.55.10355 55, 10355 (1997).
37. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.73.515 73, 515 (2001).
38. D. R. Hamann, X. Wu, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B 0163-1829 10.1103/PhysRevB.71.035117 71, 035117 (2005).
39. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.1651 47, 1651 (1993).
40. Z. Wu, R. E. Cohen, and D. J. Singh, Phys. Rev. B 0163-1829 10.1103/PhysRevB.70.104112 70, 104112 (2004).
41. W. A. Harrison, Electronic Structure and the Properties of Solids (Freeman, San Francisco, 1980).
42. P. Ghosez and J. Junquera, arXiv:cond-mat/0605299.