The origin of hyperferroelectricity in LiBO3 (B = V, Nb, Ta, Os)
10.1038/srep34085
Crossref journal-article
Springer Science and Business Media LLC
Scientific Reports (297)
Abstract

AbstractThe electronic and structural properties of LiBO3 (B = V, Nb, Ta, Os) are investigated via first-principles methods. We show that LiBO3 belong to the recently proposed hyperferroelectrics (hyperFEs), i.e., they all have unstable longitudinal optic phonon modes. Especially, the ferroelectric-like instability in the metal LiOsO3, whose optical dielectric constant goes to infinity, is a limiting case of hyperFEs. Via an effective Hamiltonian, we further show that, in contrast to normal proper ferroelectricity, in which the ferroelectric instability usually comes from long-range coulomb interactions, the hyperFE instability is due to the structure instability driven by short-range interactions. This could happen in systems with large ion size mismatches, which therefore provides a useful guidance in searching for novel hyperFEs.

Bibliography

Li, P., Ren, X., Guo, G.-C., & He, L. (2016). The origin of hyperferroelectricity in LiBO3 (B = V, Nb, Ta, Os). Scientific Reports, 6(1).

Authors 4
  1. Pengfei Li (first)
  2. Xinguo Ren (additional)
  3. Guang-Can Guo (additional)
  4. Lixin He (additional)
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Dates
Type When
Created 8 years, 10 months ago (Oct. 3, 2016, 5:33 a.m.)
Deposited 2 years, 7 months ago (Jan. 4, 2023, 5:11 p.m.)
Indexed 1 month ago (Aug. 2, 2025, 12:32 a.m.)
Issued 8 years, 10 months ago (Oct. 3, 2016)
Published 8 years, 10 months ago (Oct. 3, 2016)
Published Online 8 years, 10 months ago (Oct. 3, 2016)
Funders 0

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@article{Li_2016, title={The origin of hyperferroelectricity in LiBO3 (B = V, Nb, Ta, Os)}, volume={6}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/srep34085}, DOI={10.1038/srep34085}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Li, Pengfei and Ren, Xinguo and Guo, Guang-Can and He, Lixin}, year={2016}, month=oct }