Volume dependence of the A1g phonons in YBa2Cu3O7 View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1997-12

AUTHORS

Robert Kouba, Claudia Ambrosch-Draxl

ABSTRACT

By employing first-principles frozen-phonon calculations we have determined the force-free geometry and the dynamical matrix for the five Raman-active A1g modes in a volume-reduced YBa2Cu3O7 crystal. By this mean we investigate the relation between the effect of overbinding caused by the local density approximation and the vibronic properties of this material. This procedure reveals noticeably improved phonon frequencies in comparison to the theoretical results obtained for the measured lattice constants. More... »

PAGES

777-778

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s002570050526

DOI

http://dx.doi.org/10.1007/s002570050526

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1002920409


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