Abstract
The electronic, elastic and thermodynamic properties of Ni3Sr and Ni3Ba intermetallics are investigated based on first–principle calculation. It shows the formation energy is increased linearly and the stability decreased gradually with applied hydrostatic pressure increased. The applied strain takes an improvement effect on their stability. The stronger metal attribute of Ni3Ba implies there are more metal bonds in Ni3Ba than that in Ni3Sr. Their Pugh's ratio and Poisson's ratio indicate both of them are ductile materials and their ductility is improved with applied pressure increasing. The Young's modulus, Debye temperature and thermal conductivity of Ni3Sr and Ni3Ba increased linearly with applied pressure increasing meanwhile their elastic properties and thermodynamic properties are insensitive to applied strain although the strain has a tiny softening effect on Ni3Sr and a strengthening effect on Ni3Ba to some extends.
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.