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Lattice dynamics of coesite

Title data

Wehinger, Björn ; Bosak, Alexeï ; Chumakov, Aleksandr I. ; Mirone, Alessandro ; Winkler, Björn ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Brazhkin, Vadim ; Dyuzheva, Tatiana ; Krisch, Michael:
Lattice dynamics of coesite.
In: Journal of Physics: Condensed Matter. Vol. 25 (2013) Issue 27 . - p. 275401.
ISSN 1361-648X
DOI: https://doi.org/10.1088/0953-8984/25/27/275401

Abstract in another language

The lattice dynamics of coesite has been studied by a combination of diffuse x-ray scattering, inelastic x-ray scattering and ab initio lattice dynamics calculations. The combined technique gives access to the full lattice dynamics in the harmonic description and thus eventually provides detailed information on the elastic properties, the stability and metastability of crystalline systems. The experimentally validated calculation was used for the investigation of the eigenvectors, mode character and their contribution to the density of vibrational states. High-symmetry sections of the reciprocal space distribution of diffuse scattering and inelastic x-ray scattering spectra as well as the density of vibrational states and the dispersion relation are reported and compared to the calculation. A critical point at the zone boundary is found to contribute strongly to the main peak of the low-energy part in the density of vibrational states. Comparison with the most abundant SiO 2 polymorph—α-quartz—reveals similarities and distinct differences in the low-energy vibrational properties.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professur Materialphysik und Technologie bei extremen Bedingungen
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professur Materialphysik und Technologie bei extremen Bedingungen > Professur Materialphysik und Technologie bei extremen Bedingungen - Univ.-Prof. Dr. Natalia Doubrovinckaia
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 23 Jul 2015 09:28
Last Modified: 02 Mar 2016 14:07
URI: https://eref.uni-bayreuth.de/id/eprint/17144