Magnetic properties of Co clusters deposited on Pt(111)
Magnetic properties of Co clusters deposited on Pt(111)
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DOI：
10.1007/s00339-005-3359-1
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发表时间：
2006
期刊：
影响因子：
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通讯作者：
J. Minár;S. Bornemann;O. Šipr;S. Polesya;H. Ebert
中科院分区：
文献类型：
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作者：
J. Minár;S. Bornemann;O. Šipr;S. Polesya;H. Ebert
采用完全相对论性的Korringa-Kohn-Rostoker电子结构计算方法和局域自旋密度泛函理论，研究了沉积在Pt（111）表面的Co团簇的磁性和光谱性质.中心的兴趣是自旋-轨道耦合的作用，因为它影响自发形成和磁矩的方向，并引起除其他事项外的轨道磁矩，磁各向异性能量和磁圆二色性在X射线吸收的发生。在扩展的经典海森堡哈密顿量的基础上，通过蒙特卡罗模拟计算交换耦合参数Jijused，补充了上述结果。这使我们能够模拟有限温度下的磁性，这对应用至关重要。
Using the fully relativistic version of the Korringa–Kohn–Rostoker method for electronic structure calculations within local spin density functional theory, the magnetic and spectroscopic properties of Co clusters deposited on Pt(111) have been investigated. Of central interest was the role of spin–orbit coupling, since it influences the spontaneous formation and orientation of magnetic moments and gives rise among other things to the occurrence of orbital magnetic moments, magnetic anisotropy energy and magnetic circular dichroism in X-ray absorption. The results have been complemented by calculations of the exchange coupling parameters Jijused within Monte Carlo simulations on the basis of the extended classical Heisenberg Hamiltonian. This allowed us to simulate the magnetic properties at finite temperatures, which are of central importance for applications.