Magnetic and electronic properties of La-doped hexagonal 4H-SrMnO_(3)  

作　　者：李杰 陈一楠 宫诺 黄欣 杨志红 翁亚奎 Jie Li;Yinan Chen;Nuo Gong;Xin Huang;Zhihong Yang;Yakui Weng(Grünberg Research Centre,Nanjing University of Posts and Telecommunications,Nanjing 210023,China;School of Science,Nanjing University of Posts and Telecommunications,Nanjing 210023,China)

机构地区：[1]Grünberg Research Centre,Nanjing University of Posts and Telecommunications,Nanjing 210023,China [2]School of Science,Nanjing University of Posts and Telecommunications,Nanjing 210023,China

出　　处：《Chinese Physics B》2024年第1期697-701,共5页中国物理B（英文版）

基　　金：supported by the Natural Science Foundation of Nanjing University of Posts and Telecommunications (Grant Nos.NY222167 and NY220005)。

摘　　要：As typical strongly correlated electronic materials, manganites show rich magnetic phase diagrams and electronic structures depending on the doped carrier density. Most previous relevant studies of doped manganites rely on the cubic/orthorhombic structures, while the hexagonal structure is much less studied. Here first-principles calculations are employed to investigate the magnetic and electronic structures of La-doped 4H-SrMnO_(3). By systematically analyzing the two kinds of La-doped positions, our calculations predict that the doped electron with lattice distortion would prefer to form polarons, which contribute to the local magnetic phase transition, nonzero net magnetization, and semiconducting behavior. In addition, the energy gap decreases gradually with increasing doping concentration, indicating a tendency of insulator–metal transition.

关 键 词：MANGANITES POLARON magnetic phase transition 

分 类 号：O469[理学—凝聚态物理]