On the statistical thermodynamics of a free-standing nanocrystal: Silicon
- Russian Academy of Sciences, Institute for Geothermal Problems, Dagestan Scientific Center (Russian Federation)
The dependence of the thermodynamic parameters of a free-standing nanocrystal of simple matter on its size, density, temperature, and surface shape has been studied. The following parameters have been analyzed: Debye temperature Θ, Gruneisen parameter γ, melting temperature T{sub m}, surface energy σ, surface pressure P{sub sf}, elastic modulus B{sub T}, Poisson ratio μ, thermal expansion coefficient α{sub p}, and specific heats c{sub v} and c{sub p}. Calculations performed for silicon have shown that the functions Θ, T{sub m}, σ, and B{sub T} decrease, whereas the functions γ, |P{sub sf}|, μ, α{sub p}, c{sub v}, and c{sub p} increase with an isomorphic decrease in the number of atoms N. The stronger the nanocrystal shape deviates from the most energetically stable shape, the more pronounced the change in the aforementioned functions with an isothermal decrease in N is.
- OSTI ID:
- 22758368
- Journal Information:
- Crystallography Reports, Vol. 62, Issue 3; Other Information: Copyright (c) 2017 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7745
- Country of Publication:
- United States
- Language:
- English
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