Reverse Monte Carlo modelling of neutron powder diffraction data.
Reverse Monte Carlo modelling of neutron powder diffraction data.
复制标题
中子粉末衍射数据的逆蒙特卡罗建模。
DOI：
10.1107/s0108767399000197
复制
发表时间：
1999
期刊：
影响因子：
--
通讯作者：
Mcgreevy
中科院分区：
文献类型：
--
作者：
Mellergård;Mcgreevy
本文提出了一种新的反向蒙特卡罗（RMC）方法，通过直接计算结构因子来模拟粉末晶体材料中的晶格和磁性紊乱。详细介绍了该方法、程序和基本原理。本文还介绍了模拟nsamel温度附近MnO晶格和磁性结构的初步结果。
A new reverse Monte Carlo (RMC) method for modelling both lattice and magnetic disorder in powder crystalline materials by direct calculation of the structure factor has been developed. The method, the program and the basic theory are described in some detail. Initial results from modelling the lattice and magnetic structure of MnO around the Néel temperature are also presented.