Article

Thermophysical Properties of Materials
2008. V. 46. № 4. P. 484–494
Magomedov M.N.
The correlation of the parameters of interatomic interaction in crystals with the position of atom in the periodic table
Annotation
The previously obtained parameters of interatomic potential of the type of Mie-Lennard-Jones potential are used to analyze the correlation of these parameters with the position of atom in the periodic table for the purpose of estimating the parameters of interatomic potential of substances for which no experimental data are available that would enable one to calculate these parameters. The parameters of interatomic potential for promethium (Pm-61) are estimated for two versions of structure, and the parameters for lanthanides are corrected. The similarity in double periodicity for lanthanides and actinides is used for estimating the values of coordinate of the minimum of potential $r_o$ for elements ranging from curium (Cm-96) to dubnium (Db-105). The value of $r_o$ is estimated for roentgenium (Rg-111) proceeding from the fact that, in the case of atomic number $Z_a> 60$, the value of $r_o$ decreases with increasing $Z_a$ in elements from the same subgroup. Correct values of the parameters of potential are predicted for elements ranging from francium (Fr-87) to dubnium (Db-105). The obtained parameters of interatomic potential are used to calculate the Debye temperature and Grueneisen parameter for neptunium (Np-93) and americium (Am-95).
Article reference:
Magomedov M.N. The correlation of the parameters of interatomic interaction in crystals with the position of atom in the periodic table, High Temp., 2008. V. 46. № 4. P. 484