A METHOD FOR CALCULATION OF MORSE POTENTIAL FOR FCC, BCC, HCP CRYSTALS APPLIED TO DEBYE-WALLER FACTOR AND EQUATION OF STATE

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Title A METHOD FOR CALCULATION OF MORSE POTENTIAL FOR FCC, BCC, HCP CRYSTALS APPLIED TO DEBYE-WALLER FACTOR AND EQUATION OF STATE
 
Creator NGUYEN VAN HUNG; VNU
 
Subject


 
Description 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.
 
Publisher Vietnamese Academy of Science and Technology
 
Contributor
 
Date 2007-04-16
 
Type Peer-reviewed Article

 
Format application/pdf
 
Identifier http://www.vjol.info/index.php/cip/article/view/350
 
Source Communications in Physics; Vol 14, No 1 (2004); 7--14
 
Language en
 
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