Mechanical properties of rare earth stannate pyrochlores

The RE2Sn2O7 series compounds (RE = La, Nb, Sm, Gd, Er, Yb) with a pyrochlore structure are prepared by co-precipitation method. The bulk, shear, Young's moduli, B/G, and Poisson's ratios are calculated using density functional theory and also measured by ultrasonic resonance method. The theoretical values of lattice constants and mechanical moduli are smaller than experimental results. The electronic structures of RE2Sn2O7 are analogous to RE2Zr2O7. La2Sn2O7 exhibits stronger ionic bonds than others. The covalent interactions are slightly enhanced in the heavy rare earth stannate pyrochlores. The Vickers harnesses of RE2Sn2O7 are measured experimentally, which are smaller than theoretical predictions. (C) 2011 American Institute of Physics. [doi:10.1063/1.3659482]