Abstract

An embedded atom type many-body model for describing rare-gas solids is developed. Model parameters are obtained by fitting zero-temperature compression curves, bulk moduli, and ${C}_{44}$ elastic constants to experimental and ab initio data. The model is then used to calculate the pressure-dependent elastic constants, Cauchy discrepancies, and melting curves of Ne, Ar, Kr, and Xe. It is shown that a spherically symmetric many-body model cannot reproduce the high-pressure elastic properties of the system. The model successfully reproduces the experimentally observed negative Cauchy discrepancies and improves the agreement of the melting curves of rare-gas solids compared to pair-interacting calculations. The reported cusps on the melting curves of rare-gas solids have not been reproduced.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

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.