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Elsevier, Journal of Solid State Chemistry, 4(182), p. 725-729

DOI: 10.1016/j.jssc.2008.12.027

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Thermal properties of the pyrochlore, Y2Ti2O7

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Abstract

The thermal conductivity and heat capacity of high-purity single crystals of yttrium titanate, Y{sub 2}Ti{sub 2}O{sub 7,} have been determined over the temperature range 2 K<=T<=300 K. The experimental heat capacity is in very good agreement with an analysis based on three acoustic modes per unit cell (with the Debye characteristic temperature, theta{sub D}, of ca. 970 K) and an assignment of the remaining 63 optic modes, as well as a correction for C{sub p}-C{sub v}. From the integrated heat capacity data, the enthalpy and entropy relative to absolute zero, are, respectively, H(T=298.15 K)-H{sub 0}=34.69 kJ mol{sup -1} and S(T=298.15 K)-S{sub 0}=211.2 J K{sup -1} mol{sup -1}. The thermal conductivity shows a peak at ca. theta{sub D}/50, characteristic of a highly purified crystal in which the phonon mean free path is about 10 {mu}m in the defect/boundary low-temperature limit. The room-temperature thermal conductivity of Y{sub 2}Ti{sub 2}O{sub 7} is 2.8 W m{sup -1} K{sup -1}, close to the calculated theoretical thermal conductivity, kappa{sub min}, for fully coupled phonons at high temperatures. - Graphical Abstract: The thermal conductivity and heat capacity of high-purity single crystals of yttrium titanate, Y{sub 2}Ti{sub 2}O{sub 7,} have been determined in the range 2 K<=T<=300 K. The thermal conductivity shows a peak at ca. theta{sub D}/50, characteristic of a highly purified crystal in which the phonon mean free path is about 10 {mu}m in the defect/boundary low-temperature limit.