%A Chen Xuan,Yuan Yong-Bo,Deng Kai-Ming,Xiao Chuan-Yun,Lu Rui-Feng,Kan Er-Jun
%T Density functional study on the geometric property of Mn_{x}Sn_{y}(*x*=2,3,4; *y*=18,24,30)
%0 Journal Article
%D 2012
%J Acta Physica Sinica
%R 10.7498/aps.61.083601
%P 83601
%V 61
%N 8
%U {http://wulixb.iphy.ac.cn/CN/abstract/article_47937.shtml}
%8 2012-04-20
%X The geometric structures of the Mn_{x}Sn_{y} (*x*=2,3,4; *y*=18,24,30) clusters are studied using the density functional theory method. The geometric optimization shows that the favourite structures of Mn_{x}Sn_{6x+6} (*x*=2,3,4) are D_{3d} single-cage structures which encapsulate Mn atoms, i.e. Mn_{2}Sn_{18}, Mn_{3}Sn_{24} and Mn_{4}Sn_{30}.However the favourite structures of Mn_{x}Sn_{6x+12} (*x*=2,3) are two-cage structures, i.e. MnSn_{12}-MnSn_{12} and MnSn_{12}-Mn_{2}Sn_{18}.Thus, it is promising to form new one-dimensional nonawires of Mn_{x}Sn_{y} heterostructures by controlling the number of Mn atoms.