Stability of muon-oxygen bond sites in RBa2Cu3O7

Autor: Lichti, R. L., Adams, T. R., Gibson, T. L.
Zdroj: Hyperfine Interactions; February 1991, Vol. 63 Issue: 1-4 p199-205, 7p
Abstrakt: Relative energies of muon probe sites in the chain region of RBa2Cu3O7(RBCO) are investigated using a molecular quantum chemistry calculation for (Oμ)−embedded in a cluster of point charges to simulate local charge distributions in RBCO. Partial Cu−O chain covalency results in a O-μ...O muon site between the chain and bridging oxygens. However, Cu-μ “hydride”-like sites are suggested by results for nominally ionic clusters.
Databáze: Supplemental Index