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

Autor:	T. L. Gibson, T. R. Adams, R.L. Lichti
Rok vydání:	1994
Předmět:	Nuclear and High Energy Physics Copper oxide Muon Hydrogen Chemistry chemistry.chemical_element Electron Condensed Matter Physics Atomic and Molecular Physics and Optics Crystal chemistry.chemical_compound Molecule Physical and Theoretical Chemistry Atomic physics Electric field gradient Basis set
Zdroj:	Hyperfine Interactions. 86:561-567
ISSN:	1572-9540
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::1495af4aca923009c3485c587d81d3d1 https://doi.org/10.1007/bf02068948 Zobrazit plný text záznamu Full text from SpringerLink