Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

Direct phonon excitation in a neutron time-of-flight single-crystal Laue diffraction experiment has been observed in a single crystal of NaCl. At room temperature both phonon emission and excitation leave characteristic features in the diffuse scattering and these are well reproduced using abinitio...

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Veröffentlicht in:Journal of applied crystallography. - 1998. - 48(2015), Pt 4 vom: 01. Aug., Seite 1122-1129
1. Verfasser: Gutmann, Matthias J (VerfasserIn)
Weitere Verfasser: Graziano, Gabriella, Mukhopadhyay, Sanghamitra, Refson, Keith, von Zimmerman, Martin
Format: Aufsatz
Sprache:English
Veröffentlicht: 2015
Zugriff auf das übergeordnete Werk:Journal of applied crystallography
Schlagworte:Journal Article Laue diffraction neutron time-of-flight phonon excitation single crystals
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520 |a Direct phonon excitation in a neutron time-of-flight single-crystal Laue diffraction experiment has been observed in a single crystal of NaCl. At room temperature both phonon emission and excitation leave characteristic features in the diffuse scattering and these are well reproduced using abinitio phonons from density functional theory (DFT). A measurement at 20 K illustrates the effect of thermal population of the phonons, leaving the features corresponding to phonon excitation and strongly suppressing the phonon annihilation. A recipe is given to compute these effects combining DFT results with the geometry of the neutron experiment 
650 4 |a Journal Article 
650 4 |a Laue diffraction 
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650 4 |a phonon excitation 
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700 1 |a Graziano, Gabriella  |e verfasserin  |4 aut 
700 1 |a Mukhopadhyay, Sanghamitra  |e verfasserin  |4 aut 
700 1 |a Refson, Keith  |e verfasserin  |4 aut 
700 1 |a von Zimmerman, Martin  |e verfasserin  |4 aut 
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