First-principles study of electronic structure and magnetic properties of Sr_(3)Fe_(2)O_(5) oxide

作     者：Mavlanjan Rahman Jiuyang He 买吾兰江·热合曼;何久洋

作者机构：School of Physics and Electronic EngineeringXinjiang Normal UniversityUrumqi 830054China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2021年第30卷第11期

页      面：515-518页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.11964039) Xinjiang“Hundred Young Doctors Introduction Program”Project,China(Grant No.3010010111) 

主　　题：Sr3Fe2O5 first-principles calculation electronic structure magnetism 

摘      要：We investigate the electronic structure and magnetic properties of layered compound Sr_(3)Fe_(2)O_(5) based on firstprinciples calculations in the framework of density functional theory with GGA+U *** high pressure,the ladder-type layered structure of Sr_(3)Fe_(2)O_(5) is transformed into the infinite layered structure accompanied by a transition from G-type anti-ferromagnetic(AFM)insulator to ferromagnetic(FM)metal and a spin transition from S=2 to S=*** reproduce these transformations in our calculations and give a clear physical interpretation.