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Compressibility of copper-oxygen bonds: a high-pressure neutron powder diffraction study of CuO

1999; IOP Publishing; Volume: 11; Issue: 34 Linguagem: Inglês

10.1088/0953-8984/11/34/301

1361-648X

Helmut Ehrenberg, J.A. McAllister, William G. Marshall, J. Paul Attfield,

Rare-earth and actinide compounds

A high-pressure neutron powder diffraction study has been performed on CuO at room temperature for nine different pressures up to 8.8 GPa. Rietveld refinement gives very precise atomic parameters, enabling the copper-oxygen bond compressibility to be determined accurately. The Jahn-Teller elongated bond distance obeys Cu-O(p) = 0.0710(55)/(p+3.15(55) GPa) and is compared with the Cu-O bond compressibility in other materials. A Birch equation of state fitted to the experimental cell volume data gives K0 = 72(2) GPa, K0´ = 8.7(1.2) and V0 = 80.89(5) Å3.