Back to Search
Start Over
Phonons from powder diffraction: a quantitative model-independent evaluation.
- Source :
-
Physical review letters [Phys Rev Lett] 2004 Aug 13; Vol. 93 (7), pp. 075502. Date of Electronic Publication: 2004 Aug 12. - Publication Year :
- 2004
-
Abstract
- We describe a model-independent approach for the extraction of detailed lattice dynamics information from neutron powder diffraction data, based on a statistical analysis of atomistic configurations generated using reverse Monte Carlo structural refinement. Phonon dispersion curves for MgO extracted in this way are shown to reproduce many of the important features found in those determined independently using neutron triple-axis spectroscopy. By means of molecular dynamics simulations, we quantify the extent to which the diffraction data are sensitive to lattice dynamics in this system.
Details
- Language :
- English
- ISSN :
- 0031-9007
- Volume :
- 93
- Issue :
- 7
- Database :
- MEDLINE
- Journal :
- Physical review letters
- Publication Type :
- Academic Journal
- Accession number :
- 15324248
- Full Text :
- https://doi.org/10.1103/PhysRevLett.93.075502