Anharmonic Origin of the Giant Thermal Expansion of NaBr

All phonons in a single crystal of NaBr are measured by inelastic neutron scattering at temperatures of 10, 300, and 700 K. Even at 300 K, the phonons, especially the longitudinal-optical phonons, show large shifts in frequencies and show large broadenings in energy owing to anharmonicity. Ab initio...

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Veröffentlicht in:	Physical review letters 2020-08, Vol.125 (8), p.1-085504, Article 085504
Hauptverfasser:	Shen, Y., Saunders, C. N., Bernal, C. M., Abernathy, D. L., Manley, M. E., Fultz, B.
Format:	Artikel
Sprache:	eng
Schlagworte:	Anharmonicity CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY first-principles calculations inelastic neutron scattering Inelastic scattering many-body techniques Neutron scattering Phonons single crystal materials Single crystals Temperature Temperature dependence Thermal expansion thermodynamics
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