Abstract
ABSTRACTLaYbO3 ceramic material with a perovskite structure has the advantages of a high melting point, sintering resistance and high-temperature phase stability. It is a promising candidate for a structurally and functionally integrated material. However, the anisotropy of physical properties of LaYbO3 has rarely been studied. Herein, the anisotropy of the mechanical and thermal properties of LaYbO3 was studied by first-principles calculations. The elastic coefficients, Young’s modulus, Poisson’s ratio and minimum thermal conductivity of LaYbO3 were found to exhibit anisotropic characteristics. In particular, the sound velocity of the longitudinal wave was nearly twice that of the transverse wave. Especially, the minimum thermal conductivity of LaYbO3 at high temperature was found to be as low as 0.88 W/m K, indicating that the compound has potential for use in thermal insulation applications.
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