New quarternary half metallic material CoFeMnSi
New quarternary half metallic material CoFeMnSi
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新型四元半金属材料CoFeMnSi
DOI：
10.1063/1.3062812
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发表时间：
2009-04-01
影响因子：
3.2
通讯作者：
Liu, Heyan
中科院分区：
文献类型：
--
作者：
Dai, Xuefang;Liu, Guodong;Liu, Heyan
四元Heusler合金是开发半金属化新材料的一个很好的领域。优选的途径是将已经以Heusler结构生长的化合物联合收割机组合。作为一个典型的例子，四元LiMgPdSb型CoFeMnSi进行了详细的研究。对于四元LiMgPdSb型化合物，存在三种非等价结构。从计算的态密度（DOS）结果，可以看出，一个超结构显示半金属性。第二个超结构在费米能级有一个赝能隙。第三层上层建筑表现出金属特性。通过对CoFeMnSi化合物的X射线衍射图和磁化曲线的分析，可以推断CoFeMnSi化合物是以半金属化结构结晶的。
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.