Vacancy defect control of colossal thermopower in FeSb2

Abstract Iron diantimonide is a material with the highest known thermoelectric power. By combining scanning transmission electron microscopic study with electronic transport neutron, X-ray scattering, and first principle calculation, we identify atomic defects that control colossal thermopower magni...

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Autores principales:	Qianheng Du, Lijun Wu, Huibo Cao, Chang-Jong Kang, Christie Nelson, Gheorghe Lucian Pascut, Tiglet Besara, Theo Siegrist, Kristjan Haule, Gabriel Kotliar, Igor Zaliznyak, Yimei Zhu, Cedomir Petrovic
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Atomic physics. Constitution and properties of matter QC170-197
Acceso en línea:	https://doaj.org/article/016f3f09c1e84476a9adb6f1c6655a4f
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spelling	oai:doaj.org-article:016f3f09c1e84476a9adb6f1c6655a4f2021-12-02T16:06:11ZVacancy defect control of colossal thermopower in FeSb210.1038/s41535-020-00308-z2397-4648https://doaj.org/article/016f3f09c1e84476a9adb6f1c6655a4f2021-02-01T00:00:00Zhttps://doi.org/10.1038/s41535-020-00308-zhttps://doaj.org/toc/2397-4648Abstract Iron diantimonide is a material with the highest known thermoelectric power. By combining scanning transmission electron microscopic study with electronic transport neutron, X-ray scattering, and first principle calculation, we identify atomic defects that control colossal thermopower magnitude and nanoprecipitate clusters with Sb vacancy ordering, which induce additional phonon scattering and substantially reduce thermal conductivity. Defects are found to cause rather weak but important monoclinic distortion of the unit cell P n n m → P m. The absence of Sb along [010] for high defect concentration forms conducting path due to Fe d orbital overlap. The connection between atomic defect anisotropy and colossal thermopower in FeSb2 paves the way for the understanding and tailoring of giant thermopower in related materials.Qianheng DuLijun WuHuibo CaoChang-Jong KangChristie NelsonGheorghe Lucian PascutTiglet BesaraTheo SiegristKristjan HauleGabriel KotliarIgor ZaliznyakYimei ZhuCedomir PetrovicNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Atomic physics. Constitution and properties of matterQC170-197ENnpj Quantum Materials, Vol 6, Iss 1, Pp 1-7 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Atomic physics. Constitution and properties of matter QC170-197
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Atomic physics. Constitution and properties of matter QC170-197 Qianheng Du Lijun Wu Huibo Cao Chang-Jong Kang Christie Nelson Gheorghe Lucian Pascut Tiglet Besara Theo Siegrist Kristjan Haule Gabriel Kotliar Igor Zaliznyak Yimei Zhu Cedomir Petrovic Vacancy defect control of colossal thermopower in FeSb2
description	Abstract Iron diantimonide is a material with the highest known thermoelectric power. By combining scanning transmission electron microscopic study with electronic transport neutron, X-ray scattering, and first principle calculation, we identify atomic defects that control colossal thermopower magnitude and nanoprecipitate clusters with Sb vacancy ordering, which induce additional phonon scattering and substantially reduce thermal conductivity. Defects are found to cause rather weak but important monoclinic distortion of the unit cell P n n m → P m. The absence of Sb along [010] for high defect concentration forms conducting path due to Fe d orbital overlap. The connection between atomic defect anisotropy and colossal thermopower in FeSb2 paves the way for the understanding and tailoring of giant thermopower in related materials.
format	article
author	Qianheng Du Lijun Wu Huibo Cao Chang-Jong Kang Christie Nelson Gheorghe Lucian Pascut Tiglet Besara Theo Siegrist Kristjan Haule Gabriel Kotliar Igor Zaliznyak Yimei Zhu Cedomir Petrovic
author_facet	Qianheng Du Lijun Wu Huibo Cao Chang-Jong Kang Christie Nelson Gheorghe Lucian Pascut Tiglet Besara Theo Siegrist Kristjan Haule Gabriel Kotliar Igor Zaliznyak Yimei Zhu Cedomir Petrovic
author_sort	Qianheng Du
title	Vacancy defect control of colossal thermopower in FeSb2
title_short	Vacancy defect control of colossal thermopower in FeSb2
title_full	Vacancy defect control of colossal thermopower in FeSb2
title_fullStr	Vacancy defect control of colossal thermopower in FeSb2
title_full_unstemmed	Vacancy defect control of colossal thermopower in FeSb2
title_sort	vacancy defect control of colossal thermopower in fesb2
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/016f3f09c1e84476a9adb6f1c6655a4f
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Vacancy defect control of colossal thermopower in FeSb2

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