, , , CALCULATIONS OF FORCE AND ELASTIC CONSTANTS -Fe FROM EXPERIMENTAL PHONON SPECTRUM // BSU bulletin. Chemistry. Physics. - 2020. №2. . - С. 3-6.

CALCULATIONS OF FORCE AND ELASTIC CONSTANTS -Fe FROM EXPERIMENTAL PHONON SPECTRUM

DOI: 10.18101/2306-2363-2020-2-3-6

The values of the radial and tangential force constants of the interatomic interaction on the first six coordination spheres -Fe from the phonon spectrum are calculated and compared with the previously obtained data. The calculations were carried out by the method of least squares by describing the experimental phonon branches using a dynamic matrix, which is constructed in the De Lanet model. To verify the reliability of the obtained values of the force constants, phonon spectra are constructed and elastic constants -Fe are calculated, which are in satisfactory agreement with the corresponding experimental data.

radial force constants; tangential force constants; dynamic matrix; phonon spec- trum; elastic constants; coordination spheres; -Fe.