Materials SciencePhysics

A new version of the RMC++ Reverse Monte Carlo programme, aimed at investigating the structure of covalent glasses

O. Gereben, P. Jóvári, L. Temleitner, L. Pusztai

2007.10.1JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS

Abstract

A new version of the RMC++ Reverse Monte Carlo (RMC) software, with major modifications and additions, is introduced. The capabilities of the code are demonstrated on the example of Si 40 As 25 Te 35 chalcogenide glass, for which simultaneous modelling of neutron and X-ray diffraction, as well as of (two sets of) EXAFS data is presented. By the extensive use of coordination constraints partial radial distribution functions (prdf) could successfully be separated.

Citation format

GEREBEN, O., et al. A new version of the RMC++ reverse monte carlo programme, aimed at investigating the structure of covalent glasses. JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS, 2007, 9: 3021–3027.