| 铁磁氧化物CoFe_2O_4的电子结构 |
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| 引用本文： | 宗波,曹青松.铁磁氧化物CoFe_2O_4的电子结构[J].天水师范学院学报,2011,31(5):32-34. |
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| 作者姓名： | 宗波 曹青松 |
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| 作者单位： | 南京理工大学泰州科技学院基础部,江苏泰州,225300 |
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| 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.
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| 关 键 词： | 第一性原理 CoFe_2O_4 亚铁磁性 半金属性 电子结构 |
Electronic Structure of Ferromagnetic Oxide CoFe2O4 |
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| Zong Bo
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Cao Qingsong.Electronic Structure of Ferromagnetic Oxide CoFe2O4[J].Journal of Tianshui Normal University,2011,31(5):32-34. |
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| Authors: | Zong Bo Cao Qingsong |
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| Institution: | (Department of Basic Courses,Taizhou Institute of Science and Technology,Nanjing University of Science and Technology,Taizhou Jiangsu 225300,China) |
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| Abstract: | As a new spinel-type material with crystal-structure,CoFe2O4 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 CoFe2O4 was studied by first-principles calculations in this paper.The state density anslysis results showed that the orbital contribution of CoFe2O4 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 CoFe2O4 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 CoFe2O4. |
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| Keywords: | first-principles CoFe2O4 ferrimagnetism half-metallicity electronic structure |
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