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Hydrogen effect on half-metallic and thermoelectric properties of CoRhMnSi [001] film
Soran Univ, Dept Gen Sci, Fac Educ, Diana, Iraq..ORCID iD: 0000-0002-8925-9814
Islamic Azad Univ, Parsabad Moghan Branch, Dept Phys, Parsabad, Iran..ORCID iD: 0000-0003-2715-6737
Islamic Azad Univ, Kermanshah Branch, Dept Phys, Kermanshah, Iran..
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2021 (English)In: International Journal of Energy Research, ISSN 0363-907X, E-ISSN 1099-114X, Vol. 45, no 9, p. 13055-13070Article in journal (Refereed) Published
Abstract [en]

Quaternary Heusler alloys (QHAs) with their unique properties have the ability to absorb and store hydrogen to be used as hydrogen storage sources. In the present work, based on the calculations of the density theory of the effects of hydrogen adsorption on the properties of the half-metal and the electron transport behavior of the thin film CoRhMnSi alloy [001] was investigated. CoRhMnSi is a ferromagnetic half-metallic compound that crystallizes in a LiMgPdSn-type cube structure and only its two phases [001] named beta and gamma under hydrogen adsorption still retain their metallic properties with band gaps of 0.81 and 0.39 eV in the minor spin, have maintained. Examination of thermodynamic phase diagrams shows that these films are stable in thermodynamic conditions. Investigation of thermoelectric properties of these compounds also shows that the highest figure of merit values of 0.99 for the CoRhMnSi bulk and 0.81 for the gamma phase occurs in the room temperature range.

Place, publisher, year, edition, pages
WILEY , 2021. Vol. 45, no 9, p. 13055-13070
Keywords [en]
CoRhMnSi, DFT, electronic, hydrogenated films, thermodynamic phase diagram, thermoelectric
National Category
Energy Engineering
Identifiers
URN: urn:nbn:se:mdh:diva-58628DOI: 10.1002/er.6633ISI: 000632851000001Scopus ID: 2-s2.0-85103178305OAI: oai:DiVA.org:mdh-58628DiVA, id: diva2:1665955
Available from: 2022-06-08 Created: 2022-06-08 Last updated: 2023-08-28Bibliographically approved

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Sadeghi, Mohammad

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Sherzad Othman, MazinSadeghi, MohammadVahabzadeh, Nosrat-Ali
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