| Fe/Cr(001)超晶格层间耦合和自旋极化的第一性原理计算 |
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| 引用本文： | 张俊峰,M. Ali,陈洪. Fe/Cr(001)超晶格层间耦合和自旋极化的第一性原理计算[J]. 西南师范大学学报(自然科学版), 2005, 30(6): 1061-1065 |
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| 作者姓名： | 张俊峰 M. Ali 陈洪 |
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| 作者单位： | 西南大学,物理学院,重庆,400715 |
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| 基金项目： | 重庆市自然科学基金资助项目（2003-8111）. |
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| 摘 要： | 采用基于密度泛函理论的平面波赝势法对Fe／Cr（001）起晶格的层间耦合和自旋极化进行了系统地研究．结果表明：理想Fe／Cr超晶格的层间耦合随反铁磁Cr层层数的增加呈短周期性振荡；在较稳定的结构中，整个Cr层都以较大的磁矩被极化，且极化程度受铁磁层原子数的影响较大．
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| 关 键 词： | 密度泛函理论 超晶格 层间耦合 自旋极化 |
| 文章编号： | 1000-5471（2005）06-1061-05 |
| 收稿时间： | 2005-03-14 |
| 修稿时间： | 2005-03-14 |
First-Principles Calculations of Interlayer Magnetic Couplings and Spin Polarization in Fe/Cr(001) Superlattices |
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| ZHANG Jun-feng,M. Ali,CHEN Hong. First-Principles Calculations of Interlayer Magnetic Couplings and Spin Polarization in Fe/Cr(001) Superlattices[J]. Journal of southwest china normal university(natural science edition), 2005, 30(6): 1061-1065 |
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| Authors: | ZHANG Jun-feng M. Ali CHEN Hong |
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| Affiliation: | School of Physics, Southwest University, Chongqing 400715, China |
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| Abstract: | The interlayer magnetic couplings and the magnetic-moment distributions as a function of the number of Cr spacer are investigated systematically by using plane-wave pseudopotential method based on density functional theory. It is shown that the exchange coupling obtained for idealized Fe/Cr superlattices exhibits short-range oscillations, and for the stable spin arrangement in Fe/Cr superlattices, the whole Cr spacer is polarized with very large moment and the magnitude of polarization depends heavily on the number of Fe atomic layers. |
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| Keywords: | density functional theory superlattice interlayer magnetic coupling spin polarization |
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