Design of a multifunctional polar metal via first-principles high-throughput structure screening

Yue-Wen Fang; Hanghui Chen

doi:10.1038/s43246-019-0005-6

Communications Materials (Feb 2020)

Design of a multifunctional polar metal via first-principles high-throughput structure screening

Yue-Wen Fang,
Hanghui Chen

Affiliations

Yue-Wen Fang: Department of Materials Science and Engineering, Kyoto University
Hanghui Chen: NYU-ECNU Institute of Physics, New York University Shanghai

DOI: https://doi.org/10.1038/s43246-019-0005-6
Journal volume & issue: Vol. 1, no. 1
pp. 1 – 8

Abstract

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Polar metal oxides are not frequently observed, yet offer attractive properties for functional devices. Now, high-throughput structure screening of a thousand crystal structures reveals that BiPbTi2O6 can form both polar and metallic structures.

Published in Communications Materials

ISSN: 2662-4443 (Online)
Publisher: Nature Portfolio
Country of publisher: United States
LCC subjects: Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
Website: https://www.nature.com/commsmat/

About the journal