Electric-field gradient at oxygen sites in RBCO: Effects from a positive muon

T. R. Adams, R. L. Lichti, T. L. Gibson

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

A limited quantum chemistry approach has been used to examine changes to the electric-field gradient at oxygen sites in rare-earth barium copper oxides (RBCO) due to a bonded muon (or hydrogen). Results are reported for an all electron, extended basis set calculation for an OMu- molecule which is embedded in various point charge clusters to simulate the RBCO crystal environment. Differences between the gradients for O2- and OMu- are examined for five likely muon bond sites. In each case the muon significantly modifies the calculated gradient.

Original languageEnglish
Pages (from-to)561-567
Number of pages7
JournalHyperfine Interactions
Volume86
Issue number1
DOIs
StatePublished - Dec 1994

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