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Structural,electronic,and magnetic properties of quaternary Heusler CrZrCoZ compounds:A first-principles study 被引量:1
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作者 Xiao-Ping Wei tie-yi cao +4 位作者 Xiao-Wei Sun Qiang Gao Peifeng Gao Zhi-Lei Gao Xiao-Ma Tao 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第7期464-473,共10页
Using the first-principles calculations,we study the structural,electronic,and magnetic properties along with exchange interactions and Curie temperatures for CrZrCoZ(Z=Al,Ga,In,Tl,Si,Pb)quaternary Heusler alloys.The ... Using the first-principles calculations,we study the structural,electronic,and magnetic properties along with exchange interactions and Curie temperatures for CrZrCoZ(Z=Al,Ga,In,Tl,Si,Pb)quaternary Heusler alloys.The results show that the CrZrCoZ alloys are half-metallic ferrimagnets,and their total spin magnetic moments,which are mainly carried by the Cr atom,obey the Slater-Pauling rule.Analysis of local density of states confirms that the exchange splitting between eg and t2g states leads to the formation of half-metallic gap.According to the calculated Heisenberg exchange coupling parameters,it is found that the Cr(A)-Cr(A)and Cr(A)-Zr(B)exchanges dominate the appearance of ferrimagnetic states in CrZrCoZ(Z=Al,Ga,In,Tl,Pb)alloys,and it is the Cr(A)-Zr(B)and Zr(B)-Zr(B)exchanges for CrZrCoSi alloy.Finally,we estimate the Curie temperatures of CrZrCoZ by using mean-field approximation,it is found that the CrZrCoZ(Z=Al,Ga,In,Tl,Pb)alloys have noticeably higher Curie temperatures than room temperature.So,we expect that the CrZrCoZ alloys are promising candidates in spintronic applications in future. 展开更多
关键词 quaternary Heusler alloys electronic structure magnetic properties Curie temperature
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