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

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.

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Autores principales:	Yue-Wen Fang, Hanghui Chen
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492
Acceso en línea:	https://doaj.org/article/72d50180e7a74a568ff782341dfd6559
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spelling	oai:doaj.org-article:72d50180e7a74a568ff782341dfd65592021-12-02T14:06:16ZDesign of a multifunctional polar metal via first-principles high-throughput structure screening10.1038/s43246-019-0005-62662-4443https://doaj.org/article/72d50180e7a74a568ff782341dfd65592020-02-01T00:00:00Zhttps://doi.org/10.1038/s43246-019-0005-6https://doaj.org/toc/2662-4443Polar 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.Yue-Wen FangHanghui ChenNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492ENCommunications Materials, Vol 1, Iss 1, Pp 1-8 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Yue-Wen Fang Hanghui Chen Design of a multifunctional polar metal via first-principles high-throughput structure screening
description	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.
format	article
author	Yue-Wen Fang Hanghui Chen
author_facet	Yue-Wen Fang Hanghui Chen
author_sort	Yue-Wen Fang
title	Design of a multifunctional polar metal via first-principles high-throughput structure screening
title_short	Design of a multifunctional polar metal via first-principles high-throughput structure screening
title_full	Design of a multifunctional polar metal via first-principles high-throughput structure screening
title_fullStr	Design of a multifunctional polar metal via first-principles high-throughput structure screening
title_full_unstemmed	Design of a multifunctional polar metal via first-principles high-throughput structure screening
title_sort	design of a multifunctional polar metal via first-principles high-throughput structure screening
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/72d50180e7a74a568ff782341dfd6559
work_keys_str_mv	AT yuewenfang designofamultifunctionalpolarmetalviafirstprincipleshighthroughputstructurescreening AT hanghuichen designofamultifunctionalpolarmetalviafirstprincipleshighthroughputstructurescreening
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Design of a multifunctional polar metal via first-principles high-throughput structure screening

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