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 overlap** 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.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Similar content being viewed by others
References
T. Kihara, S. Koba, J. Phys. Soc. Jpn. 7, 348 (1952).
M. Born, Proc. Cambridge Philos. Soc. 40, 262 (1944).
J. A. Prins, J. M. Dumore, L. T. Tjoan, Physica (Amsterdam) 18, 307 (1952).
G. L. Pollack, Rev. Mod. Phys. 36, 748 (1964).
B. W. van de Waal, Phys. Rev. Lett., 67, 3263 (1991).
J. A. Venables, In: Rare Gas Solids, M. L. Klein, J. A. Venables (Eds.), Academic Press, London, (1976).
N. V. Krainyukova, R. E. Boltnev, E. P. Bernard, V.V. Khmelenko, D. M. Lee, V. Kiryukhin, Phys. Rev. Lett. 109, 245505 (2012).
K. Rosciszewski, B. Paulus, P. Fulde, H. Stoll, Phys. Rev. B 62, 5482 (2000).
K. Rosciszewski, B. Paulus, P. Fulde, H. Stoll, Phys. Rev. B 60, 7905 (1999).
K. Rosciszewski, B. Paulus, Phys. Rev. B 66, 092102 (2002).
E. Kim and M. Nicol, Phys. Rev. Lett. 96, 035504 (2006).
I. Kwon, L. A. Collins, J. D. Kress, N. Troullier, Phys. Rev. B 52, 21, 15165 (1995).
J. K. Dewhurst, R. Ahuja, S. Li, B. Johansson, Phys. Rev. Lett. 88, 7, 075504 (2002).
N. Gaston, P. Schwerdtfeger, Phys. Rev. B 74, 024105 (2006).
F. O. Kannemann, A. D. Becke, J. Chem. Theory Comput. 5, 719 (2009).
P. Schwerdtfeger, K. G. Steenbergen, E. Pahl, Phys. Rev. B 95, 214116 (2017).
P. Schwerdtfeger, A. Hermann, Phys. Rev. B 80, 064106 (2009).
L. Trombach, R. S. Hoy, D. J. Wales, P. Schwerdtfeger Phys. Rev. E 97, 043309 (2018).
L. Trombach, P. Schwerdtfeger Phys. Rev. E 98, 033311 (2018).
E. P. Troitskaya, E. A. Pilipenko, Ie. Ie. Gorbenko, Phys. Solid State 61, 1846 (2019).
E. P. Troitskaya, Ie. Ie. Gorbenko, E. A. Pilipenko J. Low Temp. Phys. 42, 411 (2016).
E. P. Troitskaya, V. V. Chabanenko, Ie. Ie. Gorbenko, E. A. Pilipenko, Phys. Solid State 57, 119 (2015).
E. P. Troitskaya, V. V. Chabanenko, Ie. Ie. Gorbenko, N. V. Kuzovoi, Fiz. Tekh. Vys. Davl. 17 (3), 14 (2007).
D. J. Chadi, M. L. Cohen, Phys. Rev. B 8, 5747 (1973).
E. P. Troitskaya, E. A. Pilipenko, Ie. Ie. Gorbenko, Phys. Solid State 61, 30 (2019).
A. Baldereschi, Phys. Rev. B 7, 5212 (1973).
R. H. Beaumont, H. Chihara, J. A. Morrison, Proc. Phys. Soc. 78, 506, 1462 (1961).
J. Eckert, W. B. Daniels, J. D. Axe, Phys. Rev. B 14,3649 (1976).
B. Farid, R. Godby, Phys. Rev. B 43, 14 248 (1991).
Data compiled by N. Pearlman, American Institute of Physics Handbook, 3rd ed., Dwight E. Gray (Ed.), McGraw-Hill, New York, (1965).
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).
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2023 The Author(s), under exclusive license to Springer Nature Switzerland AG
About this paper
Cite this paper
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
Download citation
DOI: https://doi.org/10.1007/978-3-031-21572-8_8
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-031-21571-1
Online ISBN: 978-3-031-21572-8
eBook Packages: Chemistry and Materials ScienceChemistry and Material Science (R0)