Atomic and electronic structure of domains walls in a polar metal

Stone, Greg; Puggioni, Danilo; Lei, Shiming; Gu, Mingqiang; Wang, Ke; Wang, Yu; Ge, Jianjian; Lu, Xue-Zeng; Mao, Zhiqiang; Rondinelli, James M.; Gopalan, Venkatraman

doi:10.1103/physrevb.99.014105

Title: Atomic and electronic structure of domains walls in a polar metal

Journal Article · Wed Jan 09 00:00:00 EST 2019 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.99.014105· OSTI ID:1611780

Stone, Greg ^[1]; Puggioni, Danilo ^[2]; Lei, Shiming ^[1]; Gu, Mingqiang ^[2]; Wang, Ke ^[1]; Wang, Yu ^[3]; Ge, Jianjian ^[3]; Lu, Xue-Zeng ^[2]; Mao, Zhiqiang ^[4]; Rondinelli, James M. ^[2]; Gopalan, Venkatraman ^[1]

Pennsylvania State Univ., University Park, PA (United States)
Northwestern Univ., Evanston, IL (United States)
Tulane Univ., New Orleans, LA (United States)
Tulane Univ., New Orleans, LA (United States); Pennsylvania State Univ., State College, PA (United States)

Polar metals counterintuitively bring two well-known phenomena into coexistence, namely, bulk polar displacements, and an electronic Fermi surface giving rise to metallic conduction. Furthermore, little is known about the polar domains or domain walls in such materials. Using atomic resolution electron microscopy imaging combined with first principles density functional theory, we show that uncharged head-to-tail walls, and “charged” head-to-head and tail-to-tail walls can exist in the bulk of such crystals of polar metals Ca₃Ru₂O₇, where both structural changes at the wall as well as electrostatic considerations define the wall nature. Significant built-in potentials of 30–170 meV are predicted at such walls.

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Research Organization:: Pennsylvania State Univ., University Park, PA (United States); Louisiana State Univ., Baton Rouge, LA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); Army Research Office (ARO)

Grant/Contract Number:: SC0012375; SC0012432; W911NF-15-1-0017

OSTI ID:: 1611780

Alternate ID(s):: OSTI ID: 1490134

Journal Information:: Physical Review B, Vol. 99, Issue 1; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 14 works

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Polar and phase domain walls with conducting interfacial states in a Weyl semimetal MoTe2 Huang, Fei-Ting; Lim, Seong Joon; Singh, Sobhit arXiv https://doi.org/10.48550/arxiv.1908.03082	text	January 2019

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Title: Atomic and electronic structure of domains walls in a polar metal

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