Dynamics from diffraction
We explore the possibility that detailed dynamical information might be extracted from powder diffraction data. Our focus is a recently reported technique that employs statistical analysis of atomistic configurations to calculate dynamical properties from neutron total scattering data. We show that...
| Main Authors: | , , , , |
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| Format: | Conference item |
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2006
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| _version_ | 1826282650361397248 |
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| author | Goodwin, A Tucker, MG Cope, E Dove, M Keen, D |
| author_facet | Goodwin, A Tucker, MG Cope, E Dove, M Keen, D |
| author_sort | Goodwin, A |
| collection | OXFORD |
| description | We explore the possibility that detailed dynamical information might be extracted from powder diffraction data. Our focus is a recently reported technique that employs statistical analysis of atomistic configurations to calculate dynamical properties from neutron total scattering data. We show that it is possible to access the phonon dispersion of low-frequency modes using such an approach, without constraining the results in terms of some pre-defined dynamical model. The high-frequency regions of the phonon spectrum are found to be less well preserved in the diffraction data. © 2006. |
| first_indexed | 2024-03-07T00:47:03Z |
| format | Conference item |
| id | oxford-uuid:850bcfd6-1574-4fd8-ac02-8e4693859b78 |
| institution | University of Oxford |
| last_indexed | 2024-03-07T00:47:03Z |
| publishDate | 2006 |
| record_format | dspace |
| spelling | oxford-uuid:850bcfd6-1574-4fd8-ac02-8e4693859b782022-03-26T21:54:54ZDynamics from diffractionConference itemhttp://purl.org/coar/resource_type/c_5794uuid:850bcfd6-1574-4fd8-ac02-8e4693859b78Symplectic Elements at Oxford2006Goodwin, ATucker, MGCope, EDove, MKeen, DWe explore the possibility that detailed dynamical information might be extracted from powder diffraction data. Our focus is a recently reported technique that employs statistical analysis of atomistic configurations to calculate dynamical properties from neutron total scattering data. We show that it is possible to access the phonon dispersion of low-frequency modes using such an approach, without constraining the results in terms of some pre-defined dynamical model. The high-frequency regions of the phonon spectrum are found to be less well preserved in the diffraction data. © 2006. |
| spellingShingle | Goodwin, A Tucker, MG Cope, E Dove, M Keen, D Dynamics from diffraction |
| title | Dynamics from diffraction |
| title_full | Dynamics from diffraction |
| title_fullStr | Dynamics from diffraction |
| title_full_unstemmed | Dynamics from diffraction |
| title_short | Dynamics from diffraction |
| title_sort | dynamics from diffraction |
| work_keys_str_mv | AT goodwina dynamicsfromdiffraction AT tuckermg dynamicsfromdiffraction AT copee dynamicsfromdiffraction AT dovem dynamicsfromdiffraction AT keend dynamicsfromdiffraction |