Charge-Order-Induced Ferroelectricity in Superlattices
- Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics & Astronomy
- Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics & Astronomy; Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
In this paper, the structure and properties of the $$1{\mathbin:}1$$ superlattice of $${\mathrm{LaVO}}_{3}$$ and $${\mathrm{SrVO}}_{3}$$ are investigated with a first-principles density-functional-theory-plus-$$U$$ ($$\mathrm{DFT}+U$$) method. The lowest energy states are antiferromagnetic charge-ordered Mott-insulating phases. In one of these insulating phases, layered charge ordering combines with the layered La/Sr cation ordering to produce a polar structure with a large nonzero spontaneous polarization normal to the interfaces. This polarization, comparable to that of conventional ferroelectrics, is produced by electron transfer between the $${\mathrm{V}}^{3+}$$ and $${\mathrm{V}}^{4+}$$ layers. The energy of this normal-polarization state relative to the ground state is only 3 meV per vanadium. Under tensile strain, this energy difference can be further reduced, suggesting that the normal-polarization state can be induced by an electric field applied normal to the superlattice layers, yielding an antiferroelectric double-hysteresis loop. Finally, if the system does not switch back to the ground state on removal of the field, a ferroelectric-type hysteresis loop could be observed.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Rutgers Univ., Piscataway, NJ (United States)
- Sponsoring Organization:
- USDOE; Office of Naval Research (ONR) (United States)
- Grant/Contract Number:
- AC52-06NA25396; ONR N00014-11-1-0666; ONR N00014-14-1-0613
- OSTI ID:
- 1458947
- Report Number(s):
- LA-UR-16-23748; TRN: US1901534
- Journal Information:
- Physical Review Letters, Vol. 118, Issue 8; ISSN 0031-9007
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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