Electrostriction coefficient of ferroelectric materials from ab initio computation
Source abstract
Abstract
Electrostriction is an important material property that characterizes how strain changes with the development of polarization inside a material. We show that ab initio techniques developed in recent years can be exploited to compute and understand electrostriction of ferroelectric materials. Here, electrostriction coefficients of ferroelectric BaTiO3, PbTiO3, as well as dielectric BaZrO3, are obtained and analyzed. Possible causes of the difference between experimental and numerical results are discussed. We also identified that relative displacements between certain ions at a given polarization could be a good indicator of a material’s electrostriction property.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Ferroelectric and Piezoelectric Materials · Acoustic Wave Resonator Technologies · Multiferroics and related materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Xi’an Jiaotong University 1 Electronic Materials Research Laboratory–Key Laboratory of the Ministry of Education and International Center for Dielectric Research, , Xi’an 710049, China
University of Arkansas 2 Physics Department and Institute for Nanoscience and Engineering, , Fayetteville, Arkansas 72701, USA
Northwest University 3 Department of Physics, State Key Laboratory of Photoelectric Technology and Functional Materials (Cultivation Base), , Xi’an 710069, China
Peter Grünberg Institute and Ernst Ruska Center for Microscopy and Spectroscopy with Electrons 4 , Research Center Jülich, D-52425 Jülich, Germany
Funding
National Natural Science Foundation of China
References (55)
Show source-provided references
1. 1996
2. J. Mater. Sci. · 1981 · 16 · 56910.1007/BF02402772 ↗
3. Curr. Opin. Solid State Mater. Sci. · 2002 · 6 · 1110.1016/S1359-0286(02)00023-2 ↗
4. J. Phys. Chem. B · 1997 · 101 · 1014110.1021/jp971522c ↗
5. 2005
6. Phys. Rev. Lett. · 2009 · 103 · 25760210.1103/PhysRevLett.103.257602 ↗
7. Appl. Phys. Lett. · 2014 · 105 · 23290310.1063/1.4904019 ↗
8. Phys. Rev. B · 1993 · 47 · 165110.1103/PhysRevB.47.1651 ↗
9. Rev. Mod. Phys. · 1994 · 66 · 89910.1103/RevModPhys.66.899 ↗
10. Phys. Rev. B · 2002 · 66 · 10410810.1103/PhysRevB.66.104108 ↗
11. Nat. Phys. · 2009 · 5 · 30410.1038/nphys1185 ↗
12. Phys. Rev. Lett. · 2002 · 89 · 11760210.1103/PhysRevLett.89.117602 ↗
13. Phys. Rev. Lett. · 2002 · 89 · 15760210.1103/PhysRevLett.89.157602 ↗
14. Phys. Rev. Lett. · 2003 · 91 · 05760110.1103/PhysRevLett.91.057601 ↗
15. Phys. Rev. Lett. · 2004 · 93 · 18740110.1103/PhysRevLett.93.187401 ↗
16. Phys. Rev. B · 2005 · 71 · 02410210.1103/PhysRevB.71.024102 ↗
17. Phys. Rev. B · 2007 · 75 · 20512110.1103/PhysRevB.75.205121 ↗
18. Phys. Rev. Lett. · 2006 · 96 · 05640110.1103/PhysRevLett.96.056401 ↗
19. Phys. Rev. B · 2009 · 80 · 22411010.1103/PhysRevB.80.224110 ↗
20. Phys. Rev. Lett. · 2008 · 101 · 08760110.1103/PhysRevLett.101.087601 ↗
21. Phys. Rev. B · 2011 · 83 · 02010410.1103/PhysRevB.83.020104 ↗
22. Phys. Rev. B · 2012 · 86 · 09411210.1103/PhysRevB.86.094112 ↗
23. Phys. Rev. B · 2009 · 80 · 24110310.1103/PhysRevB.80.241103 ↗
24. Phys. Rev. Lett. · 2011 · 106 · 13680310.1103/PhysRevLett.106.136803 ↗
25. Phys. Rev. Lett. · 2011 · 107 · 05610210.1103/PhysRevLett.107.056102 ↗
26. Phys. Rev. B · 2011 · 84 · 11510710.1103/PhysRevB.84.115107 ↗
27. Comp. Mat. Sci. · 2002 · 25 · 47810.1016/S0927-0256(02)00325-7 ↗
28. Phys. Rev. B · 1992 · 45 · 1324410.1103/PhysRevB.45.13244 ↗
29. Phys. Rev. B · 1994 · 50 · 1795310.1103/PhysRevB.50.17953 ↗
30. Comput. Mater. Sci. · 2014 · 81 · 44610.1016/j.commatsci.2013.08.053 ↗
31. Phys. Rev. B · 1976 · 13 · 518810.1103/PhysRevB.13.5188 ↗
32. Phys. Rev. B · 2005 · 72 · 03510510.1103/PhysRevB.72.035105 ↗
33. J. Appl. Phys. · 2010 · 108 · 03410710.1063/1.3462441 ↗
34. Appl. Phys. Rev. · 2014 · 1 · 01110310.1063/1.4861260 ↗
35. Phys. Rev. · 1958 · 111 · 14310.1103/PhysRev.111.143 ↗
36. J. Appl. Phys. · 2001 · 89 · 808510.1063/1.1369399 ↗
37. J. Alloys Compd. · 2002 · 334 · 11810.1016/S0925-8388(01)01785-6 ↗
38. Phys. Rev. B · 2005 · 72 · 20510410.1103/PhysRevB.72.205104 ↗
39. Phase Transitions · 1980 · 1 · 33310.1080/01411598008218442 ↗
40. J. Adv. Dielect. · 2015 · 5 · 155001910.1142/S2010135X15500198 ↗
41. Phys. Rev. B · 1994 · 49 · 582810.1103/PhysRevB.49.5828 ↗
42. Phys. Rev. B · 1995 · 52 · 630110.1103/PhysRevB.52.6301 ↗
43. Acta Cryst. B · 2011 · 67 · 38610.1107/S0108768111028631 ↗
44. Phys. Rev. B · 2010 · 82 · 13410610.1103/PhysRevB.82.134106 ↗
45. Phys. Rev. · 1958 · 111 · 14310.1103/PhysRev.111.143 ↗
46. Mater. Sci. Eng., A · 2008 · 472 · 26910.1016/j.msea.2007.03.028 ↗
47. Phys. Stat. Sol. (b) · 2005 · 242 · 105410.1002/pssb.200402142 ↗
48. J. Phys. Chem. Solids · 1996 · 57 · 143310.1016/0022-3697(96)00009-1 ↗
49. J. Alloys Compd. · 2003 · 359 · 10910.1016/S0925-8388(03)00214-7 ↗
50. J. Appl. Phys. · 1993 · 74 · 660310.1063/1.355099 ↗
51. Phys. Rev. · 1955 · 99 · 116110.1103/PhysRev.99.1161 ↗
52. Phys. Rev. B · 2008 · 77 · 09411210.1103/PhysRevB.77.094112 ↗
53. Phys. Rev. B · 1984 · 30 · 114810.1103/PhysRevB.30.1148 ↗
54. Sov. Phys. Solid State · 1970 · 12 · 1203
55. Ferroelectrics · 1997 · 194 · 9710.1080/00150199708016085 ↗