CuN表面Mn纳米链的弱铁磁性
Weak ferromagnetism in Mn nanochains on the CuN surface
摘要：
我们使用第一性原理LSDA和LDA+U计算研究了CuN表面上Mn链的电子和磁性结构。用格林函数方法计算了Mn原子间的各向同性交换积分和各向异性Dzyaloshinskiii-Moriya相互作用。结果表明，晶格弛豫和原位库仑相互作用的帐户是重要的，准确描述所研究的纳米系统的磁性。我们预测了一个弱的铁磁性现象，在锰反铁磁纳米链的CuN表面。计算了净磁矩值和自旋倾斜方向。我们表明，一些实验功能可以解释使用各向异性交换相互作用。
英文摘要：
We investigate electronic and magnetic structures of the Mn chains supported on the CuN surface using first-principle LSDA and LDA+U calculations. The isotropic exchange integrals and anisotropic Dzyaloshinskii-Moriya interactions between Mn atoms are calculated using Green function formalism. It is shown that the account of lattice relaxation and on-site Coulomb interaction are important for accurate description of magnetic properties of the investigated nanosystems. We predict a weak ferromagnetism phenomenon in the Mn antiferromagnetic nanochains on the CuN surface. The value of a net magnetic moment and direction of spin canting are calculated. We show that some experimental features may be explained using anisotropic exchange interactions.
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