铁磁氧化物CoFe_2O_4的电子结构  

Electronic Structure of Ferromagnetic Oxide CoFe_2O_4

作　　者：宗波[1] 曹青松[1] 

机构地区：[1]南京理工大学泰州科技学院基础部,江苏泰州225300

出　　处：《天水师范学院学报》2011年第5期32-34,共3页Journal of Tianshui Normal University

摘　　要：CoFe_2O_4是一种具有半金属性和亚铁磁性的新型尖晶石结构材料,具有制备简单、居里温度高、室温自旋极化率大、高的饱和磁化强度和磁晶各向异性等优点.文中采用第一性原理计算方法对CoFe_2O_4结构进行了研究.通过对CoFe_2O_4的态密度分析得到:CoFe_2O_4晶体的轨道贡献主要来源于O原子的2p轨道,Fe原子的3d轨道和Co原子的3d轨道;CoFe_2O_4的半金属性主要是由于Co原子引起的;Fe原子和Co原子都具有较大的不同磁矩,而且方向相反,使得CoFe_2O_4具有亚铁磁有序.As a new spinel-type material with crystal-structure,CoFe_2O_4 has half-metallicity and ferrimagnetism, the advantages of simple preparation,high Curie temperature,arge room-temperature spin-polarization,saturation magnetization,magnetic anisotropy and so on.The structure of CoFe_2O_4 was studied by first-principles calculations in this paper.The state density anslysis results showed that the orbital contribution of CoFe_2O_4 crystal mainly originated from the 2p orbital of oxygen atom,the 3d orbital of Fe atom and the 3d orbital of Co atom,the semi-metallicity of CoFe_2O_4 was mainly caused by Co atom,both Fe atom and Co atom had large different magnetic moments with opposite directions,which endowed the ferrimagnetism order of CoFe_2O_4.

关 键 词：第一性原理 CoFe_2O_4 亚铁磁性 半金属性 电子结构 

分 类 号：TB3[一般工业技术—材料科学与工程]