Empirical magnetic structure solution of frustrated spin systems.
Empirical magnetic structure solution of frustrated spin systems.
复制标题
受挫自旋系统的经验磁结构解决方案。
DOI：
10.1103/physrevlett.108.017204
复制
发表时间：
2011
影响因子：
8.6
通讯作者：
A. Goodwin
中科院分区：
文献类型：
--
作者：
J. Paddison;A. Goodwin
受挫磁在奇异量子态的现象学中起着核心作用。然而，由于受挫体系的磁性结构通常是非周期性的，因此存在无法用传统晶体学技术确定的问题。在这里，我们表明，粉末中子散射数据的磁性成分实际上是足够的信息丰富，以驱动磁结构的解决方案受挫系统，包括自旋冰，自旋液体，和分子磁体。我们的方法采用从头开始的反向蒙特卡洛改进，充分利用额外的约束，使局部自旋环境中的方差最小化。用这种方法得到的原子自旋构型不仅反映了磁性结构的“解”，而且再现了完整的三维磁散射图。
Frustrated magnetism plays a central role in the phenomenology of exotic quantum states. However, since the magnetic structures of frustrated systems are often aperiodic, there has been the problem that they cannot be determined by using traditional crystallographic techniques. Here we show that the magnetic component of powder neutron scattering data is actually sufficiently information-rich to drive magnetic structure solution for frustrated systems, including spin ices, spin liquids, and molecular magnets. Our methodology employs ab initio reverse Monte Carlo refinement, making informed use of an additional constraint that minimizes variance in local spin environments. The atomistic spin configurations obtained in this way not only reflect a magnetic structure "solution" but also reproduce the full three-dimensional magnetic scattering pattern.