DataVXACS Energy LettersPaper
journal article·2018-05-11

Designing a Lower Band Gap Bulk Ferroelectric Material with a Sizable Polarization at Room Temperature

Shyamashis Das, Somnath Ghara, Priya Mahadevan, A. Sundaresan, J. Gopalakrishnan, D. D. Sarma

ACS Energy Letters· Volume 3· Issue 5
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Source abstract

Abstract

A low band gap ferroelectric material with a sizable polarization at ambient conditions would constitute an ideal photovoltaic material to harvest solar energy because of its efficient polarization-driven charge carrier separation. We achieve this elusive goal by codoping a Jahn–Teller Mn3+ and Nb5+ pair for two Ti4+ ions in ferroelectric BaTiO3. Representing a charge-neutral dipole doping, this approach achieves for the first time a bulk ferroelectric oxide with the lowest band gap of 1.66 eV with a sizable polarization of nearly 70% of BaTiO3. We contrast this with the analogous system with Mn3+ replaced by the non-Jahn–Teller Fe3+ (3d5) ion, which even at a much lower level of doping reduces the polarization to 25% without reducing the band gap significantly, establishing the efficacy of the present strategy.
Source: openalex_inverted_index · Quality: baseline

Research context

Electronic materials

OpenAlex topics: Multiferroics and related materials · Ferroelectric and Piezoelectric Materials · Perovskite Materials and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, India

Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru 560064, India

Department of Condensed Matter Physics and Material Sciences, S.N. Bose National Centre for Basic Sciences, Block JD, Sector-III, Saltlake, Kolkata 700106, India

Funding

Council of Scientific and Industrial Research · Department of Science and Technology, Ministry of Science and Technology · Jawaharlal Nehru Centre for Advanced Scientific Research · Jamsetji Tata Trust

References (44)

Show source-provided references
1. 10.1080/0015019730823770110.1080/00150197308237701 ↗
2. 10.1039/C4EE03523B10.1039/C4EE03523B ↗
3. 10.1021/jz301703910.1021/jz3017039 ↗
4. 10.1038/nmat328210.1038/nmat3282 ↗
5. 10.1002/adma.20150521510.1002/adma.201505215 ↗
6. 10.1038/natrevmats.2016.8710.1038/natrevmats.2016.87 ↗
7. 10.1038/nphoton.2010.1510.1038/nphoton.2010.15 ↗
8. 10.1038/358136a010.1038/358136a0 ↗
9. 10.1021/jp402046t10.1021/jp402046t ↗
10. 10.1038/nature1262210.1038/nature12622 ↗
11. 10.1002/adma.20120141410.1002/adma.201201414 ↗
12. 10.1063/1.500664310.1063/1.5006643 ↗
13. 10.1021/ja805224910.1021/ja8052249 ↗
14. 10.1103/PhysRevB.83.20511510.1103/PhysRevB.83.205115 ↗
15. 10.1039/C3TA13724D10.1039/C3TA13724D ↗
16. 10.1126/science.116863610.1126/science.1168636 ↗
17. 10.1002/adma.20110080510.1002/adma.201100805 ↗
18. 10.1038/ncomms383510.1038/ncomms3835 ↗
19. 10.1038/nnano.2009.45110.1038/nnano.2009.451 ↗
20. 10.1038/ncomms169010.1038/ncomms1690 ↗
21. 10.1021/acs.jpcc.6b0792710.1021/acs.jpcc.6b07927 ↗
22. 10.1021/acs.chemmater.5b0340810.1021/acs.chemmater.5b03408 ↗
23. 10.1021/acs.chemmater.5b0335610.1021/acs.chemmater.5b03356 ↗
24. 10.1021/acs.chemmater.5b0160110.1021/acs.chemmater.5b01601 ↗
25. 10.1021/ja801843v10.1021/ja801843v ↗
26. 10.1021/ja903133n10.1021/ja903133n ↗
27. 10.1021/ja501614n10.1021/ja501614n ↗
28. 10.1021/acs.chemmater.7b0314110.1021/acs.chemmater.7b03141 ↗
29. 10.1103/PhysRevLett.116.15680110.1103/PhysRevLett.116.156801 ↗
30. 10.1038/nphoton.2014.25510.1038/nphoton.2014.255 ↗
31. 10.1002/smll.20140320610.1002/smll.201403206 ↗
32. 10.1063/1.359027010.1063/1.3590270 ↗
33. 10.1103/PhysRev.102.70510.1103/PhysRev.102.705 ↗
34. 10.1103/PhysRevB.90.16140910.1103/PhysRevB.90.161409 ↗
35. 10.1038/nphoton.2016.14310.1038/nphoton.2016.143 ↗
36. 10.1002/adma.20170369410.1002/adma.201703694 ↗
37. 10.1103/PhysRevB.2.267910.1103/PhysRevB.2.2679 ↗
38. 10.1021/jp000114x10.1021/jp000114x ↗
39. 10.1143/JJAP.46.297810.1143/JJAP.46.2978 ↗
40. 10.1039/B601251E10.1039/B601251E ↗
41. 10.1103/RevModPhys.22.22110.1103/RevModPhys.22.221 ↗
42. Lines M. E. · 1977
43. Strukov B. A. · 199810.1007/978-3-642-60293-1 ↗
44. 10.1002/pssb.1966015022410.1002/pssb.19660150224 ↗