Ferroelectricity with Asymmetric Hysteresis in Metallic LiOsO3 Ultrathin Films

Lu, Jinlian; Chen, Gong; Luo, Wei; Íñiguez, Jorge; Bellaiche, Laurent; Xiang, Hongjun

doi:10.1103/physrevlett.122.227601

Ferroelectricity with Asymmetric Hysteresis in Metallic LiOsO₃ Ultrathin Films

Journal Article · Tue Jun 04 00:00:00 EDT 2019 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.122.227601· OSTI ID:1610671

Lu, Jinlian ^[1]; Chen, Gong ^[2]; Luo, Wei ^[3]; Íñiguez, Jorge ^[4]; Bellaiche, Laurent ^[5]; Xiang, Hongjun ^[3]

Fudan Univ., Shanghai (China); Yancheng Inst. of Technology (China); DOE/OSTI
Univ. of Science and Technology of China, Hefei (China)
Fudan Univ., Shanghai (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing (China)
Luxembourg Inst. of Science and Technology (Luxembourg); Univ. of Luxembourg, Belvaux (Luxembourg)
Univ. of Arkansas, Fayetteville, AR (United States)

Bulk LiOsO₃ was experimentally identified as a “ferroelectric” metal where polar distortions coexist with metallicity [Shi et al., Nat. Mater. 12, 1024 (2013)]. It is generally believed that polar displacements in a ferroelectric metal cannot be switched by an external electric field. Here, via comprehensive density functional theory calculations, we demonstrate that a two-unit cell-thick LiOsO₃ thin film exhibits a ferroelectric ground state having an out-of-plane electric dipole moment that can be switched by an external electric field. Moreover, its dipole moment-versus-electric field hysteresis loop is asymmetric because only surface Li ions’ displacements are reversed by the external electric field whereas the field-induced force on inner Li atoms is nearly fully screened by itinerant electrons. Here, as a relevant by-product of our study, we also extend the concept of “Born effective charge” to finite metallic systems, and show its usefulness to rationalize the observed effects.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Arkansas, Fayetteville, AR (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Air Force Office of Scientific Research

Grant/Contract Number:: SC0002220

OSTI ID:: 1610671

Alternate ID(s):: OSTI ID: 1524473

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 22 Vol. 122; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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75 CONDENSED MATTER PHYSICS
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Ferroelectricity with Asymmetric Hysteresis in Metallic LiOsO3 Ultrathin Films

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Ferroelectricity with Asymmetric Hysteresis in Metallic LiOsO₃ Ultrathin Films