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New quarternary half metallic material CoFeMnSi

Xuefang DaiHebei University of Technology 2 School of Material Sciences and Engineering, , 300130 Tianjin, People’s Republic of ChinaGuodong LiuJohannes Gutenberg-University 1 Institute of Inorganic and Analytical Chemistry, , 55099 Mainz, GermanyGerhard H. FecherJohannes Gutenberg-University 1 Institute of Inorganic and Analytical Chemistry, , 55099 Mainz, GermanyClaudia FelserJohannes Gutenberg-University 1 Institute of Inorganic and Analytical Chemistry, , 55099 Mainz, GermanyYangxian LiHebei University of Technology 2 School of Material Sciences and Engineering, , 300130 Tianjin, People’s Republic of ChinaHeyan LiuHebei University of Technology 2 School of Material Sciences and Engineering, , 300130 Tianjin, People’s Republic of China
2009en
ABI

Аннотация

A good field to develop new materials with half metallicity is the quaternary Heusler alloys. The preferred route is to combine the compounds that have been already grown in Heusler structure. As a typical example, the quaternary LiMgPdSb-type CoFeMnSi have been investigated in detail. For the quaternary LiMgPdSb-type compounds, three nonequivalent structures exist. From the calculated density of state (DOS) results, it can be seen that one superstructure shows half metallicity. The second superstructure has a pseudogap at the Fermi level. The third superstructure shows metallic behavior. Based on the analysis of the measured XRD pattern and magnetization curve, we can deduce that the CoFeMnSi compound is crystallized in the structure where half metallicity occurs.

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