| Fe/Cr超晶格的电子结构和磁性质 |
| |
| 引用本文： | 胡海泉,李恒帅,崔守鑫,王文军. Fe/Cr超晶格的电子结构和磁性质[J]. 物理化学学报, 2007, 23(6): 846-850. DOI: 10.1016/S1872-1508(07)60048-5 |
| |
| 作者姓名： | 胡海泉 李恒帅 崔守鑫 王文军 |
| |
| 作者单位： | School of Physics Science &Information Engineering, Liaocheng University, Liaocheng 252059, Shandong Province, P. R. China |
| |
| 基金项目： | 国家高技术研究发展计划(863计划);山东省自然科学基金 |
| |
| 摘 要： | 应用密度泛函全势线性缀加平面波(FLAPW)方法研究了Fem/Crn (m=3, 4; n=1, 3, 4)超晶格的电子结构和磁性质. 结果表明, Fe3/Cr1和Fe3/Cr3体系的基态中, Fe层间存在铁磁耦合; 而Fe4/Cr4体系基态中, 存在反铁磁耦合; Cr层的磁矩方向交替变化, 交界面上的Fe和Cr间存在反铁磁耦合.
|
| 关 键 词： | 电子结构 磁性质 密度泛函理论 |
| 收稿时间： | 2006-11-29 |
| 修稿时间： | 2006-11-292007-01-27 |
Electronic Structure and Magnetic Properties of Fe/Cr Superlattices |
| |
| HU Hai-Quan,LI Heng-Shuai,CUI Shou-Xin,WANG Wen-Jun. Electronic Structure and Magnetic Properties of Fe/Cr Superlattices[J]. Acta Physico-Chimica Sinica, 2007, 23(6): 846-850. DOI: 10.1016/S1872-1508(07)60048-5 |
| |
| Authors: | HU Hai-Quan LI Heng-Shuai CUI Shou-Xin WANG Wen-Jun |
| |
| Affiliation: | School of Physics Science &Information Engineering, Liaocheng University, Liaocheng 252059, Shandong Province, P. R. China |
| |
| Abstract: | The electronic structure and magnetic properties of Fem/Crn(m=3, 4; n=1, 3, 4) superlattice were studied using the density functional full-potential linearized augmented plane-wave (FLAPW) method. The results showed that the ferromagnetic coupling existed for the adjacent Fe layers in the Fe3/Cr1 and Fe3/Cr3 superlattices and the antiferromagnetic coupling existed for Fe4/Cr4 superlattice in the ground state. The magnetic moments of Cr atoms changed direction from layer to layer, and an antiferromagnetic coupling between Fe and Cr at the interfacial layer could be observed. |
| |
| Keywords: | Electronic structure Magnetic properties Density functional theory |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
| 点击此处可从《物理化学学报》浏览原始摘要信息 |
|
点击此处可从《物理化学学报》下载全文 |
|
