Abstract
The theoretical ab initio investigation of the elastic properties of the compressed rare-gas crystals is carried out in a model of deformable and polarizable atoms, taking into account the many-body interaction and quadrupole interaction . The analytical expressions for the Fuchs elastic moduli have been obtained from the equations of lattice vibrations in the long-wave approximation. The derivatives of the second-order Fuchs elastic moduli with respect to the pressure and corresponding third-order Fuchs elastic moduli were calculated in the wide pressure range. It has been shown that values for the pressure derivatives of the second-order Fuchs elastic moduli were in good agreement with the experiment at zero pressure and the results of the empirical calculations of other authors.
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Acknowledgements
The work was supported by the Ministry of Education and Science of the Russian Federation in projects Nos. 3.6371.2017/8.9, 3.6439.2017/8.9 (the basic part of the state task) and grant of Russian Foundation for Basic Research No. 17-08-01724. The study had been performed with equipment of the Collective center of using “Electro-magnetic, Electromechanical and Thermal Properties of Solids ”, Research Institute of Physics, Southern Federal University.
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Gorbenko, I.I., Troitskaya, E.P., Pilipenko, E.A., Verbenko, I.A., Yurasov, Y.I. (2018). Third-Order Fuchs Elastic Constants and the Pressure Derivatives of the Second-Order Elastic Constants for Compressed Ne and Ar in the Model of Deformable Atoms. In: Parinov, I., Chang, SH., Gupta, V. (eds) Advanced Materials . PHENMA 2017. Springer Proceedings in Physics, vol 207. Springer, Cham. https://doi.org/10.1007/978-3-319-78919-4_18
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