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Changes of the Thermodynamic Properties at Isochoric and Isobaric Decrease of the Silicon Nanocrystal Size

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Abstract

Equation of state P(ν/νo) and the baric dependences of the lattice and surface properties of silicon macro- and nanocrystals have been calculated using the method of calculation of crystal properties from the pair Mie–Lennard-Jones interatomic potential and the RP-model of nanocrystal. The isothermal dependences of P(ν/νo) for the macro- and the nanocrystal are shown to be intersected at a certain value of relative volume (ν/νo)0. The surface pressure becomes zero at the intersection point (at (ν/νo)0). The value of (ν/νo)0 decreases upon isomorphic–isomeric increase in temperature and also at isomorphic–isothermic decrease in the number of atoms N in the nanocrystal, or at isomeric–isothermic deviation of the nanocrystal shape from the most energetically optimal shape (in the RP-model, this shape is a cube). The obtained equation of state is used to study the changes of the silicon properties at isochoric (ν/νo = 1) and also isobaric (P = 0) decrease in N at temperatures 300 and 1000 K.

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ACKNOWLEDGMENTS

The author is grateful to E.N. Akhmedov, S.P. Kramynin, N.Sh. Gazanova, and Z.M. Surkhaeva for useful discussions and their help in this study.

FUNDING

This work was supported by the Russian Foundation for Basic research (project no. 18-29-11013_mk) and the program no. I.13 of the Presidium of the Russian Academy of Sciences.

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Authors and Affiliations

  1. Institute for Geothermal Problems, Dagestan Scientific Center, Russian Academy of Sciences, 367030, Makhachkala, Russia

    M. N. Magomedov

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Correspondence to M. N. Magomedov.

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Translated by Yu. Ryzhkov

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Magomedov, M.N. Changes of the Thermodynamic Properties at Isochoric and Isobaric Decrease of the Silicon Nanocrystal Size. Phys. Solid State 61, 642–649 (2019). https://doi.org/10.1134/S106378341904019X

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