(Fe Sn）4 N合金作为无阻简立方晶格上短程竞争作用的自旋玻璃模型系统
(Fe,Sn)4N alloy as a model spin-glass system with short-range competing interactions on a nonfrustrated simple cubic lattice
摘要：
在无序局域矩方法和局域自旋密度近似的框架下，应用第一性原理中的磁力定理导出了具有参数的海森堡哈密顿量，研究了（Fe，Sn）4N合金中自旋玻璃态的起源.结果表明，在自旋玻璃态稳定的合金浓度范围内，只有一个Fe亚晶格是本征磁性的，由于化学和磁无序的影响，原子间的交换磁相互作用基本上是短程的.具有良好自旋矩的磁性Fe原子随机分布在非几何阻挫简单立方晶格中。磁阻挫，这通常被认为是自旋玻璃态形成条件的基本成分，可能只发生由于两个最近邻相互作用的竞争。因此，我们认为，（Fe，Sn）4N是一个罕见的自旋玻璃系统的自旋玻璃态的形成机制可能会在一个简单的立方晶格上的最小随机网站模型的框架内进行研究，而几何挫折的影响可以被排除在外的例子。
英文摘要：
The origin of the spin-glass state in (Fe,Sn)4N alloys is studied on the basis of a Heisenberg Hamiltonian with parameters derived from first principles within the magnetic force theorem applied in the framework of the disordered local moments method and local spin-density approximation. We show that in the alloy concentration range where the spin-glass state is stable only one Fe sublattice is intrinsically magnetic and the interatomic exchange magnetic interactions are essentially short ranged due to effects of chemical and magnetic disorder. The magnetic Fe atoms with well-localized spin moments are randomly distributed over the nongeometrically frustrated simple cubic lattice. The magnetic frustration, which generally is believed to be an essential ingredient of the spin-glass state formation condition, may occur only due to the competition of the two nearest-neighbor interactions. We thus argue that (Fe,Sn)4N is a rare example of a spin-glass system where the mechanism of spin-glass state formation might be studied in the framework of the minimal random-site model on a simple cubic lattice with competing interactions, while the effects of the geometrical frustration can be excluded.
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