论文标题
从头开始旋转刚度理论中电子传输的方法
Methods of electron transport in ab initio theory of spin stiffness
论文作者
论文摘要
我们提出了一个从头开始的理论,该理论是针对有序和无序的巡回铁磁体的旋转刚度张量,其与来自无穷小旋转方法得出的成对交换相互作用。所得的公式具有线性响应系数的明确形式,该系数涉及在最近的电子传输理论中遇到的一个颗粒绿色功能和有效速度算子。与传统的不相关的真实空间晶格总和相比,这种方法在理想金属晶体上的应用可产生更可靠的旋转刚度值。形式主义也可以与有效的随机合金治疗的连贯电势近似结合在一起,这自然导致包含无序诱导的顶点校正到旋转刚度。随机FCC Ni-FE合金的自旋波刚度的计算浓度依赖性可以归因于合金磁化的相互值的变化。随机富铁的BCC Fe-Al合金的计算表明,由于原子序,它们的自旋波刚度大大降低。这种效果是由于弱耦合的Fe原子的局部磁矩,被Fe最近的邻居数减少。
We present an ab initio theory of the spin-wave stiffness tensor for ordered and disordered itinerant ferromagnets with pair exchange interactions derived from a method of infinitesimal spin rotations. The resulting formula bears an explicit form of a linear-response coefficient which involves one-particle Green's functions and effective velocity operators encountered in a recent theory of electron transport. Application of this approach to ideal metal crystals yields more reliable values of the spin stiffness than traditional ill-convergent real-space lattice summations. The formalism can also be combined with the coherent potential approximation for an effective-medium treatment of random alloys, which leads naturally to an inclusion of disorder-induced vertex corrections to the spin stiffness. The calculated concentration dependence of the spin-wave stiffness of random fcc Ni-Fe alloys can be ascribed to a variation of the reciprocal value of alloy magnetization. Calculations for random iron-rich bcc Fe-Al alloys reveal that their spin-wave stiffness is strongly reduced owing to the atomic ordering; this effect takes place due to weakly coupled local magnetic moments of Fe atoms surrounded by a reduced number of Fe nearest neighbors.