Negative thermal expansion in crystals with the delafossite structure: An extended x-ray absorption fine structure study of CuScO(2) and CuLaO(2)

Stringa bibliografica S. I. Ahmed, G. Dalba, P. Fornasini, M. Vaccari, F. Rocca, A. Sanson, J. Li, A. W. Sleight, "Negative thermal expansion in crystals with the delafossite structure: An extended x-ray absorption fine structure study of CuScO(2) and CuLaO(2)" in PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, v. 2009, 79, n. 10 (2009), p. 104302-1-104302-8. - DOI: 10.1103/PhysRevB.79.104302

Dettaglio

Breve descrizione dei contenuti: Extended x-ray absorption fine structure has been measured at the K edge of copper in CuScO(2) and CuLaO(2) to investigate the local origin of negative thermal expansion (NTE) along the c axis. A positive expansion of the Cu-O bond has been measured within the entire temperature interval to be contrasted with the negative expansion of the distance between average atomic positions measured by diffraction; the inadequacy of the riding correction to diffraction data has been evidenced. The weak temperature dependence of the parallel mean-square relative displacement (MSRD) indicates a rather stiff Cu-O bond, while the large perpendicular MSRD measures an intense relative motion of copper with respect to oxygen atoms perpendicular to the c axis. The comparison between the two compounds enlightens the relevance of the correlation of perpendicular motion to quantitatively explain the apparent NTE of the Cu-O bond.

Parole chiave: bonds (chemical); copper compounds; crystal structure; EXAFS; light diffraction; thermal expansion, SQUARE RELATIVE DISPLACEMENTS; CUMULANT ANALYSIS; EXAFS PARALLEL; ZRW2O8; TEMPERATURE; CONTRACTION; EINSTEIN; ORIGIN; BOND; CU