Abstract
The crystal structure, phase stability, mechanical, electronic and thermodynamic properties of Al8Cu4RE compounds (RE = Y, Ce, Nd, Sm and Er) were investigated. The results of formation energies and elastic constants of compounds indicated that all Al8Cu4RE compounds were thermodynamically and mechanically stable. The calculated DOS of Al8Cu4RE were in good agreement with the results of formation energies. The elastic constants, bulk modulus, shear modulus, Young's modulus, G/B and Poisson's ratio of Al-Cu-RE compounds were also systematically calculated. The results showed that Al8Cu4RE compounds can be classified as brittleness material based on Pugh criteria and Poisson's ratio. And the calculations of thermodynamic properties indicated that the Debye temperature Al8Cu4Sm compound was significantly higher than that of others, which suggests that the lattice thermal conductivity of Al8Cu4Sm was the highest.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.