论文标题
SPINTACT：一个完善磁相互作用以扩散散射数据的程序
Spinteract: A Program to Refine Magnetic Interactions to Diffuse Scattering Data
论文作者
论文摘要
磁性扩散散射 - 在材料的磁有序温度上方中的中子 - 划分数据中观察到的宽磁散射特征 - 提供了有关材料磁性汉密尔顿的丰富信息来源。但是，由于缺乏可用的计算机软件，该信息通常会保持不足，因为这些计算机软件可以符合磁相互作用参数的值。在这里，提出了一个开源计算机程序，即Spintact，该程序可以直接细化磁相互作用参数，以使其对粉末和单晶磁性扩散散射数据。总结了这种方法的理论和实施。示出了针对规范抗fiferromagnet MNO和高度破坏性的经典自旋液体GD3GA5O12的已发表的实验性扩散散布数据集的改进。概述了数据收集和改进的准则，并讨论了该方法的可能发展。
Magnetic diffuse scattering -- the broad magnetic scattering features observed in neutron-diffraction data above a material's magnetic ordering temperature -- provides a rich source of information about the material's magnetic Hamiltonian. However, this information has often remained under-utilised due to a lack of available computer software that can fit values of magnetic interaction parameters to such data. Here, an open-source computer program, Spinteract, is presented, which enables straightforward refinement of magnetic interaction parameters to powder and single-crystal magnetic diffuse scattering data. The theory and implementation of this approach are summarised. Examples are presented of refinements to published experimental diffuse-scattering data sets for the canonical antiferromagnet MnO and the highly-frustrated classical spin liquid Gd3Ga5O12. Guidelines for data collection and refinement are outlined, and possible developments of the approach are discussed.
