Coexisting Mechanisms for the Ferroelectric Phase Transition in Li2SrNb2O7
Source abstract
Abstract
Pseudo-Ruddlesden–Popper-type Li2SrNb2O7 (LSNO), which belongs to a layered perovskite-type family, exhibits a first-order ferroelectric phase transition at 217 K. Our first-principles calculations and dielectric measurements show that Ca-substitution for Sr in LSNO enhances the rotation of NbO6 octahedra and Nb5+ displacements to induce a robustly stabilized ferroelectric P21cn phase. The present study has demonstrated the two coexisting mechanisms in the ferroelectric phase transition of LSNO: the second-order Jahn–Teller effect and the rotational-distortion driven hybrid-improper ferroelectricity. The origin of unique ferroelectric phase transition of LSNO has been clarified to be softening of the zone-boundary Y2– mode. The present study provides a new insight into designing ferroelectricity in layered perovskite-type oxides with the second-order Jahn–Teller effect and the rotations of octahedra.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Ferroelectric and Piezoelectric Materials · Multiferroics and related materials · Microwave Dielectric Ceramics Synthesis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology, Yokohama 226-8503, Japan
Department of Physics, Nagoya University, Nagoya 464-8602, Japan
Funding
Ministry of Education, Culture, Sports, Science and Technology · Core Research for Evolutional Science and Technology · Japan Society for the Promotion of Science
References (49)
Show source-provided references
1. 10.1021/ie50443a00910.1021/ie50443a009 ↗
2. 10.1111/j.1151-2916.1999.tb01840.x10.1111/j.1151-2916.1999.tb01840.x ↗
3. von Hippel A. · 1995
4. von Hippel A. · 1995
5. 10.1088/0960-1317/10/2/30710.1088/0960-1317/10/2/307 ↗
6. 10.1007/s00269-014-0678-910.1007/s00269-014-0678-9 ↗
7. 10.1021/ja01046a00110.1021/ja01046a001 ↗
8. 10.1016/0166-1280(83)85006-410.1016/0166-1280(83)85006-4 ↗
9. 10.1021/ja00310a01810.1021/ja00310a018 ↗
10. 10.1021/ja00269a01810.1021/ja00269a018 ↗
11. 10.1038/358136a010.1038/358136a0 ↗
12. 10.1103/PhysRevB.50.891110.1103/PhysRevB.50.8911 ↗
13. 10.1006/jssc.1995.115010.1006/jssc.1995.1150 ↗
14. 10.1146/annurev.matsci.28.1.110.1146/annurev.matsci.28.1.1 ↗
15. 10.1103/PhysRevLett.87.21760110.1103/PhysRevLett.87.217601 ↗
16. 10.1103/PhysRevB.84.17410610.1103/PhysRevB.84.174106 ↗
17. 10.1103/PhysRevB.84.10411410.1103/PhysRevB.84.104114 ↗
18. 10.1080/00150193.2012.67203510.1080/00150193.2012.672035 ↗
19. 10.1103/PhysRevLett.108.13720210.1103/PhysRevLett.108.137202 ↗
20. 10.1080/0001873600010122910.1080/00018736000101229 ↗
21. 10.1080/0001873610010132110.1080/00018736100101321 ↗
22. 10.1103/RevModPhys.46.8310.1103/RevModPhys.46.83 ↗
23. 10.1103/PhysRevLett.106.10720410.1103/PhysRevLett.106.107204 ↗
24. 10.1016/j.jssc.2012.04.01210.1016/j.jssc.2012.04.012 ↗
25. 10.1038/nmat416810.1038/nmat4168 ↗
26. 10.1063/1.505568210.1063/1.5055682 ↗
27. 10.1002/adfm.20180185610.1002/adfm.201801856 ↗
28. 10.1002/adma.20160128810.1002/adma.201601288 ↗
29. 10.1021/jacs.8b0799810.1021/jacs.8b07998 ↗
30. 10.1021/acs.chemmater.9b0237310.1021/acs.chemmater.9b02373 ↗
31. 10.1021/acs.chemmater.9b0078610.1021/acs.chemmater.9b00786 ↗
32. 10.1021/acs.chemmater.9b0402210.1021/acs.chemmater.9b04022 ↗
33. 10.1143/JPSJ.18.15710.1143/JPSJ.18.157 ↗
34. 10.1103/PhysRevLett.39.115810.1103/PhysRevLett.39.1158 ↗
35. 10.1103/PhysRevB.50.1795310.1103/PhysRevB.50.17953 ↗
36. 10.1103/PhysRevLett.100.13640610.1103/PhysRevLett.100.136406 ↗
37. 10.1103/PhysRevB.54.1116910.1103/PhysRevB.54.11169 ↗
38. 10.1103/PhysRevB.59.175810.1103/PhysRevB.59.1758 ↗
39. 10.1016/j.scriptamat.2015.07.02110.1016/j.scriptamat.2015.07.021 ↗
40. 10.1103/PhysRevLett.112.18760210.1103/PhysRevLett.112.187602 ↗
41. 10.1103/PhysRevMaterials.2.12500110.1103/PhysRevMaterials.2.125001 ↗
42. 10.1103/PhysRevMaterials.4.04460110.1103/PhysRevMaterials.4.044601 ↗
43. 10.1021/j100135a01410.1021/j100135a014 ↗
44. 10.1002/jcc.2430010.1002/jcc.24300 ↗
45. 10.1107/S002188980902806410.1107/S0021889809028064 ↗
46. 10.1107/S010876731001624710.1107/S0108767310016247 ↗
47. 10.1107/S002188980601407510.1107/S0021889806014075 ↗
48. 10.1107/S056773947600155110.1107/S0567739476001551 ↗
49. 10.1021/jp402046t10.1021/jp402046t ↗