spinvert: a program for refinement of paramagnetic diffuse scattering data
spinvert: a program for refinement of paramagnetic diffuse scattering data
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spinvert：用于细化顺磁漫散射数据的程序
DOI：
10.1088/0953-8984/25/45/454220
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发表时间：
2013
期刊：
影响因子：
--
通讯作者：
A. Goodwin
中科院分区：
文献类型：
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作者：
J. Paddison;J. Paddison;J. R. Stewart;A. Goodwin
我们提出了一个程序（spinvert; www.example.com）的磁漫散射数据的挫折磁铁，自旋液体，自旋玻璃，和其他磁无序材料的细化。该方法使用反向蒙特卡罗细化，以适应一个大的配置的自旋实验粉末中子衍射数据。尽管拟合球平均数据，这种方法允许恢复的三维磁漫散射图案和自旋对相关函数。我们说明了使用spinvert程序与两个案例研究。首先，我们使用可果美晶格上正则反铁磁海森堡模型的模拟粉末数据来讨论自旋反转细化对成对和高阶自旋关联的敏感性。有限的实验数据对结果的影响也被考虑。第二，我们重新分析发表的实验数据受挫系统Y0.5Ca0.5BaCo4O7。自旋反转细化的结果表明Y0.5Ca0.5BaCo4O7和它的母体化合物YBaCo4O7之间的相似性，这在以前的分析中被忽略了使用粉末数据。
We present a program (spinvert; http://spinvert.chem.ox.ac.uk) for refinement of magnetic diffuse scattering data for frustrated magnets, spin liquids, spin glasses, and other magnetically disordered materials. The approach uses reverse Monte Carlo refinement to fit a large configuration of spins to experimental powder neutron diffraction data. Despite fitting to spherically averaged data, this approach allows the recovery of the three-dimensional magnetic diffuse scattering pattern and the spin-pair correlation function. We illustrate the use of the spinvert program with two case studies. First, we use simulated powder data for the canonical antiferromagnetic Heisenberg model on the kagome lattice to discuss the sensitivity of spinvert refinement to both pairwise and higher-order spin correlations. The effect of limited experimental data on the results is also considered. Second, we re-analyse published experimental data on the frustrated system Y0.5Ca0.5BaCo4O7. The results from spinvert refinement indicate similarities between Y0.5Ca0.5BaCo4O7 and its parent compound YBaCo4O7, which were overlooked in previous analyses using powder data.
影响因子：
8.6
作者：
Cliffe, Matthew J.;Dove, Martin T.;Goodwin, Andrew L.
通讯作者：
Goodwin, Andrew L.
方晶格受挫铁磁体中的自旋相关性和交换
DOI：
10.1209/0295-5075/88/57005
发表时间：
2009
期刊：
EPL (Europhysics Letters)
影响因子：
--
作者：
Skoulatos M
通讯作者：
Skoulatos M