Published April 22, 2013 | Version v1
Journal article Metadata-only

An efficient implementation of the reverse Monte Carlo method for EXAFS analysis in crystalline materials

Creators

  • 1. Institute of Solid State Physics, University of Latvia, Kengaraga street 8, Riga, LV-1063 (Latvia)

Description

Lattice dynamics of crystalline materials can be efficiently studied using reverse Monte Carlo (RMC) simulations of EXAFS spectra. In this work we demonstrate potentiality of the method on an example of the thermal disorder study in rhenium trioxide ReO3.

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-6596/430/1/012012

Additional details

Identifiers

DOI
10.1088/1742-6596/430/1/012012;

Publishing Information

Journal Title
Journal of Physics. Conference Series (Online)
Journal Volume
430
Journal Issue
1
Journal Page Range
[5 p.]
ISSN
1742-6596

Conference

Title
15. international conference on X-ray absorption fine structure
Acronym
XAFS15
Dates
22-28 Jul 2012
Place
Beijing (China)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
44113776
Subject category
S36: MATERIALS SCIENCE;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ABSORPTION SPECTROSCOPY; FINE STRUCTURE; IMPLEMENTATION; MATERIALS; MONTE CARLO METHOD; RHENIUM; RHENIUM OXIDES; SIMULATION; SPECTRA; X-RAY SPECTROSCOPY
Descriptors DEC
CALCULATION METHODS; CHALCOGENIDES; ELEMENTS; METALS; OXIDES; OXYGEN COMPOUNDS; REFRACTORY METAL COMPOUNDS; REFRACTORY METALS; RHENIUM COMPOUNDS; SPECTROSCOPY; TRANSITION ELEMENT COMPOUNDS; TRANSITION ELEMENTS