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Zero-Point Energy of Compressed Rare-Gas Crystals in the Model of Deformable Atoms

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Physics and Mechanics of New Materials and Their Applications

Part of the book series: Springer Proceedings in Materials ((SPM,volume 20))

Abstract

The lattice dynamics of compressed rare-gas crystals is theoretically investigated in the model of deformable and polarizable atoms, taking into account the three-body interaction and deformation of the electron shells of dipole-type atoms within the pair and three-body approximations. Calculations of the energy of phonons and zero-point vibrations for compressed rare-gas crystals are performed at two and ten main value points of the Chadi-Cohen method in a wide range of pressures. It is shown that the contribution of three-body forces due to the overlapping of the electron shells of neighboring atoms is insignificant even at high pressure and most noticeable for Xe. At the same time, the contribution of the deformation of electron shells within the pair and three-body approximations is more significant and increase with an increase in pressure.

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Acknowledgement

This research was supported by the Ministry of Science and Higher Education of the Russian Federation (State task in the field of scientific activity, scientific project No (0852–2020-0032)/(BAZ0110/20–3-07IF).

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Authors and Affiliations

  1. Lugansk State Pedagogical University, Lugansk, Ukraine

    Ie. Ie. Gorbenko

  2. Donetsk A. A. Galkin Physics and Technology Institute, Donetsk, Ukraine

    E. A. Pilipenko

  3. Research Institute of Physics, Southern Federal University, Rostov-on-Don, Russia

    I. A. Verbenko & E. V. Glazunova

Authors
  1. Ie. Ie. Gorbenko
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  2. E. A. Pilipenko
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  3. I. A. Verbenko
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  4. E. V. Glazunova
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Corresponding author

Correspondence to E. A. Pilipenko .

Editor information

Editors and Affiliations

  1. I. I. Vorovich Institute of Mathematics, Mechanics and Computer Science, Southern Federal University, Rostov-on-Don, Russia

    Ivan A. Parinov

  2. Department of Microelectronic Engineering, National Kaohsiung University of Science and Technology, Kaohsiung, Taiwan

    Shun-Hsyung Chang

  3. Don State Technical University, Rostov-on-Don, Russia

    Arkady N. Soloviev

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Gorbenko, I.I., Pilipenko, E.A., Verbenko, I.A., Glazunova, E.V. (2023). Zero-Point Energy of Compressed Rare-Gas Crystals in the Model of Deformable Atoms. In: Parinov, I.A., Chang, SH., Soloviev, A.N. (eds) Physics and Mechanics of New Materials and Their Applications. Springer Proceedings in Materials, vol 20. Springer, Cham. https://doi.org/10.1007/978-3-031-21572-8_8

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