Reverse Monte Carlo modelling of neutron powder diffraction data.
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.
Department of Materials Physics, Royal Institute of Technology, S-100 44 Stockholm, Sweden. anders@matphys.kth.se
A
Mellergård
RL
McGreevy