Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
Founded at 2009


Estimation of the polarization and dispersion corrections to the surface energy of the faces of metal crystals

I.G. Shebzukhova1, L.P. Aref`eva2

1 Kabardino-Balkarian State University named after H.M. Berbekov
2 Don State Technical University

DOI: 10.26456/pcascnn/2020.12.319

Short communication

Abstract: On the basis of the electronic statistical method, expressions for the dispersion and polarization corrections to the surface energy of the crystal faces IA of metals at the boundary with vacuum are obtained and their value are calculated. Both corrections are highly anisotropic. The dispersion correction increases the surface energies of the faces (from 3 to 23 %), the polarization correction reduces them by less than 1 %. Taking into account these interactions improves the agreement between the calculated surface energy and the experimental data of the melts.

Keywords: surface energy, dispersion interaction, ion polarization, alkali metals, electronic statistical method

  • Irina G. Shebzukhova – Dr. Sc., Professor, Department of Theoretical and Experimental Physics Kabardino-Balkarian State University named after H.M. Berbekov
  • Ludmila P. Aref`eva – Ph. D., Docent, Department of Physical and Applied Material Science Don State Technical University

Reference:

Shebzukhova, I.G. Estimation of the polarization and dispersion corrections to the surface energy of the faces of metal crystals / I.G. Shebzukhova, L.P. Aref`eva // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. – Tver: TSU, 2020. — I. 12. — P. 319-325. DOI: 10.26456/pcascnn/2020.12.319. (In Russian).

Full article (in Russian): download PDF file