Atomistic model of orthorhombic YBa2Cu3O7

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Abstract

We have developed a rigid-ion model of the orthorhombic YBa2Cu3O7 phase. The structure of the model lattice is in good agreement with available experimental structural data. The lattice is found to be unstable at 700 K where the initiation of disordering of the oxygen ions in the copper-oxygen linear chains is observed. Vibrational properties of the lattice have been calculated and compared with the experimental vibrational density of states.

Original languageEnglish (US)
Pages (from-to)6596-6603
Number of pages8
JournalPhysical Review B
Volume38
Issue number10
DOIs
StatePublished - Jan 1 1988

ASJC Scopus subject areas

  • Condensed Matter Physics

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