期刊
JOURNAL OF APPLIED CRYSTALLOGRAPHY
卷 48, 期 -, 页码 1122-1129出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1600576715010912
关键词
neutron time-of-flight; Laue diffraction; single crystals; phonon excitation
资金
- Materials Chemistry Consortium (EPSRC) [EP/D504872]
- UK Science and Technology Facilities Council [4070006444]
- EPSRC [EP/K013750/2, EP/L000202/1] Funding Source: UKRI
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 ab initio 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.
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