A Systematic Approach for Semiconductor Half-Heusler

The key to designing a half-Heusler begins from the understanding of atomic interactions within the compound. However, this pool of knowledge in half-Heusler compounds is briefly segregated in many papers for specific explanations. The nature of the chemical bonding has been systematically explored...

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Autores principales:	Wei Yang Samuel Lim, Danwei Zhang, Solco Samantha Faye Duran, Xian Yi Tan, Chee Kiang Ivan Tan, Jianwei Xu, Ady Suwardi
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	Heusler semiconductor thermoelectric band structure hybridization Zintl Technology T
Acceso en línea:	https://doaj.org/article/8cc700c129e1472ba0373d73af3a66d9
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id	oai:doaj.org-article:8cc700c129e1472ba0373d73af3a66d9
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spelling	oai:doaj.org-article:8cc700c129e1472ba0373d73af3a66d92021-11-08T05:09:35ZA Systematic Approach for Semiconductor Half-Heusler2296-801610.3389/fmats.2021.745698https://doaj.org/article/8cc700c129e1472ba0373d73af3a66d92021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fmats.2021.745698/fullhttps://doaj.org/toc/2296-8016The key to designing a half-Heusler begins from the understanding of atomic interactions within the compound. However, this pool of knowledge in half-Heusler compounds is briefly segregated in many papers for specific explanations. The nature of the chemical bonding has been systematically explored for the large transition-metal branch of the half-Heusler family using density-of-states, charge-density, charge transfer, electron-localization-function, and crystal-orbital-Hamilton-population plots. This review aims to simplify the study of a conventional 18-electron configuration half-Heusler by applying rules proposed by renowned scientists to explain concepts such as Zintl-Klemm, hybridization, and valence electron content (VEC). Atomic and molecular orbital diagrams illustrate the electron orbital transitions and provide clarity to the semiconducting behavior (VEC = 18) of half-Heusler. Eighteen-electron half-Heusler usually exhibits good thermoelectric properties owing to favorable electronic structures such as narrow bandgap (<1.1 eV), thermal stability, and robust mechanical properties. The insights derived from this review can be used to design high-performance half-Heusler thermoelectrics.Wei Yang Samuel LimDanwei ZhangSolco Samantha Faye DuranXian Yi TanChee Kiang Ivan TanJianwei XuAdy SuwardiAdy SuwardiFrontiers Media S.A.articleHeuslersemiconductorthermoelectricband structurehybridizationZintlTechnologyTENFrontiers in Materials, Vol 8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Heusler semiconductor thermoelectric band structure hybridization Zintl Technology T
spellingShingle	Heusler semiconductor thermoelectric band structure hybridization Zintl Technology T Wei Yang Samuel Lim Danwei Zhang Solco Samantha Faye Duran Xian Yi Tan Chee Kiang Ivan Tan Jianwei Xu Ady Suwardi Ady Suwardi A Systematic Approach for Semiconductor Half-Heusler
description	The key to designing a half-Heusler begins from the understanding of atomic interactions within the compound. However, this pool of knowledge in half-Heusler compounds is briefly segregated in many papers for specific explanations. The nature of the chemical bonding has been systematically explored for the large transition-metal branch of the half-Heusler family using density-of-states, charge-density, charge transfer, electron-localization-function, and crystal-orbital-Hamilton-population plots. This review aims to simplify the study of a conventional 18-electron configuration half-Heusler by applying rules proposed by renowned scientists to explain concepts such as Zintl-Klemm, hybridization, and valence electron content (VEC). Atomic and molecular orbital diagrams illustrate the electron orbital transitions and provide clarity to the semiconducting behavior (VEC = 18) of half-Heusler. Eighteen-electron half-Heusler usually exhibits good thermoelectric properties owing to favorable electronic structures such as narrow bandgap (<1.1 eV), thermal stability, and robust mechanical properties. The insights derived from this review can be used to design high-performance half-Heusler thermoelectrics.
format	article
author	Wei Yang Samuel Lim Danwei Zhang Solco Samantha Faye Duran Xian Yi Tan Chee Kiang Ivan Tan Jianwei Xu Ady Suwardi Ady Suwardi
author_facet	Wei Yang Samuel Lim Danwei Zhang Solco Samantha Faye Duran Xian Yi Tan Chee Kiang Ivan Tan Jianwei Xu Ady Suwardi Ady Suwardi
author_sort	Wei Yang Samuel Lim
title	A Systematic Approach for Semiconductor Half-Heusler
title_short	A Systematic Approach for Semiconductor Half-Heusler
title_full	A Systematic Approach for Semiconductor Half-Heusler
title_fullStr	A Systematic Approach for Semiconductor Half-Heusler
title_full_unstemmed	A Systematic Approach for Semiconductor Half-Heusler
title_sort	systematic approach for semiconductor half-heusler
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/8cc700c129e1472ba0373d73af3a66d9
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A Systematic Approach for Semiconductor Half-Heusler

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