La2 VMnO6 is measured to be insulating and ferrimagnetic experimentally. In this study, by substituting V with Nb, La2NbMnO6 is investigated using the density functional theory. The calculated results indicate that La...La2 VMnO6 is measured to be insulating and ferrimagnetic experimentally. In this study, by substituting V with Nb, La2NbMnO6 is investigated using the density functional theory. The calculated results indicate that La2 NbMnO6 is also ferrimagnetic and exhibits the half metallic properties due to the strong electron correlation of Mn. The valence states of Nb and Mn are assigned to be 4-4 and ＋2 in La2NbMn06, respectively, which are different from V3＋/Mn3＋ in La2 VMnO6.展开更多
基金Supported by the Scientific Research Plan Projects of Heilongjiang Education Department under Grant No 135109311the National Natural Science Foundation of China under Grant Nos 11404180 and 11405092the Natural Science Foundation of Heilongjiang Province under Grant Nos A2015010 and B201420
文摘La2 VMnO6 is measured to be insulating and ferrimagnetic experimentally. In this study, by substituting V with Nb, La2NbMnO6 is investigated using the density functional theory. The calculated results indicate that La2 NbMnO6 is also ferrimagnetic and exhibits the half metallic properties due to the strong electron correlation of Mn. The valence states of Nb and Mn are assigned to be 4-4 and ＋2 in La2NbMn06, respectively, which are different from V3＋/Mn3＋ in La2 VMnO6.
