Theoretical study and experimental observations of lattice vibrations in squaric acid

The dispersion relations of lattice vibrations in several symmetry directions have been calculated for the room temperature structure using Buckingham type atom–atom potentials. Satisfactory agreement is obtained with inelastic neutron scattering observations, also presented in the present paper.

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Bibliographische Detailangaben
Veröffentlicht in:	The Journal of chemical physics 1985-01, Vol.82 (3), p.1454-1458
Hauptverfasser:	BOUGEARD, D, SAMUELSEN, E. J, SEMMINGSEN, D
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Lattice dynamics Phonon states and bands, normal modes, and phonon dispersion Phonons and vibrations in crystal lattices Physics
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Beschreibung
Zusammenfassung:	The dispersion relations of lattice vibrations in several symmetry directions have been calculated for the room temperature structure using Buckingham type atom–atom potentials. Satisfactory agreement is obtained with inelastic neutron scattering observations, also presented in the present paper.
ISSN:	0021-9606 1089-7690
DOI:	10.1063/1.448419