A METHOD FOR CALCULATION OF MORSE POTENTIAL FOR FCC, BCC, HCP CRYSTALS APPLIED TO DEBYE-WALLER FACTOR AND EQUATION OF STATE
NGUYEN VAN HUNG
Abstract
Analytical expressions for the Morse potential parameters for fcc, bcc and hcp
crystals have been developed. They contain the energy of sublimation, the compressibility
and the lattice constant. Numerical results for Cu (fcc), W (bcc) and Zn (hcp) agree well
with the measured values. Debye-Waller factors in X-ray absorption fine structure (XAFS)
and equation of state computed using the obtained Morse potential parameters agree well
with the experimental results.
crystals have been developed. They contain the energy of sublimation, the compressibility
and the lattice constant. Numerical results for Cu (fcc), W (bcc) and Zn (hcp) agree well
with the measured values. Debye-Waller factors in X-ray absorption fine structure (XAFS)
and equation of state computed using the obtained Morse potential parameters agree well
with the experimental results.
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