Anisotropy of mechanical and thermal properties of perovskite LaYbO₃: first-principles calculations

ABSTRACT

LaYbO₃ 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.

KEYWORDS:

• Perovskites
• first-principles calculation
• thermal barrier coatings
• thermal properties
• mechanical properties
• anisotropy

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This research was supported by the National Natural Science Foundation of China [grant number 51590893]; the Inspirational Fund of the Army Engineering University of PLA [grant number LYLZJJ1708].