日本鹿儿岛大学理工学研究科境田光希等人,对呈现亚铁磁性和铁磁性有序Mn2RuZ(Z=Sn,Si)的一些不同原子排列,进行了第一原理总能量计算,合成了Mn2RuSn和Mn2RuSi,并用X-射线衍射测定晶体结构。测定结果表明,这两种化合物具有Heusler型立方结构。比较总能量表明,这两种化合物当中,具有亚 Kagoshima, Japan Kagoshima Institute of Science and Engineering Koshida Hiro Tian et al., For the presence of ferrimagnetism and ferromagnetic order Mn2RuZ (Z = Sn, Si) some of the different atomic arrangements, the first principle of total energy calculations, the synthesis of Mn2RuSn And Mn2RuSi, and the crystal structure was determined by X-ray diffraction. The results show that these two compounds have Heusler-type cubic structure. Comparing the total energy shows that of these two compounds, there are sub-species