Abstract
The lowest-energy structures associated with a commonly used effective metallic pair potential are found for a wide range of values of the three parameters required by the potential. The structures tested include most of the lattices favored by the elements, the Bravais lattices with variable c/a and b/a ratios, and a number of candidate three-dimensional one-component quasicrystal structures. One of the quasicrystals is the stable structure for a region of parameter space close to the virtual-crystal parameters appropriate to the observed simple-metal quasicrystals. Energies are also evaluated for some crystalline approximants to the quasicrystals, and these structures are found to be lower in energy than the quasicrystal only for a small portion of the region of quasicrystal stability, although it is still possible that sufficiently high-order approximants are lower in energy over the entire region.
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.