Atomic and electronic structure of domains walls in a polar metal

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

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Polar metals counterintuitively bring two well-known phenomena into coexistence, namely, bulk polar displacements, and an electronic Fermi surface giving rise to metallic conduction. However, 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.

Original languageEnglish (US)
Article number014105
JournalPhysical Review B
Volume99
Issue number1
DOIs
StatePublished - Jan 9 2019

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Crystal atomic structure
Domain walls
atomic structure
Electronic structure
domain wall
Metals
electronic structure
Fermi surface
metals
Electron microscopy
Density functional theory
Electrostatics
Imaging techniques
Crystals
Fermi surfaces
electron microscopy
electrostatics
density functional theory
conduction
electronics

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Stone, Greg ; Puggioni, Danilo ; Lei, Shiming ; Gu, Mingqiang ; Wang, Ke ; Wang, Yu ; Ge, Jianjian ; Lu, Xue Zeng ; Mao, Zhiqiang ; Rondinelli, James M. ; Gopalan, Venkatraman. / Atomic and electronic structure of domains walls in a polar metal. In: Physical Review B. 2019 ; Vol. 99, No. 1.
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author = "Greg Stone and Danilo Puggioni and Shiming Lei and Mingqiang Gu and Ke Wang and Yu Wang and Jianjian Ge and Lu, {Xue Zeng} and Zhiqiang Mao and Rondinelli, {James M.} and Venkatraman Gopalan",
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Stone, G, Puggioni, D, Lei, S, Gu, M, Wang, K, Wang, Y, Ge, J, Lu, XZ, Mao, Z, Rondinelli, JM & Gopalan, V 2019, 'Atomic and electronic structure of domains walls in a polar metal', Physical Review B, vol. 99, no. 1, 014105. https://doi.org/10.1103/PhysRevB.99.014105

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.

In: Physical Review B, Vol. 99, No. 1, 014105, 09.01.2019.

Research output: Contribution to journalArticle

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AU - Stone, Greg

AU - Puggioni, Danilo

AU - Lei, Shiming

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AU - Ge, Jianjian

AU - Lu, Xue Zeng

AU - Mao, Zhiqiang

AU - Rondinelli, James M.

AU - Gopalan, Venkatraman

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