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Hydrogen effect on half‐metallic and thermoelectric properties of CoRhMnSi [001] film
Author(s) -
Sherzad Othman Mazin,
Sadeghi Mohammad,
Vahabzadeh NosratAli,
Boochani Arash,
Amiri Maliheh
Publication year - 2021
Publication title -
international journal of energy research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.808
H-Index - 95
eISSN - 1099-114X
pISSN - 0363-907X
DOI - 10.1002/er.6633
Subject(s) - thermoelectric effect , materials science , hydrogen , hydrogen storage , alloy , metal , ferromagnetism , phase (matter) , adsorption , thermodynamics , metallurgy , condensed matter physics , chemistry , organic chemistry , physics
Summary 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 β and γ 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 γ phase occurs in the room temperature range.