Phonon dispersion for the bcc metals Mo and Cr |
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| Authors: | M Li NX Chen |
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| Institution: | 1. CCAST (World Laboratory), P.O. Box 8730, Beijing, 100080, People’s Republic of China
2. Institute of Applied Physics, Beijing University of Science and Technology, Beijing, 100083, People’s Republic of China
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| Abstract: | In this paper the phonon dispersion for the bcc metals Mo and Cr is calculated based on the pair potentials obtained from cohesive energies and the Slater-Kirkwood- type three body interaction. In the calculation of the pair potentials the Möbius transform in the number theory is used and the cohesive energy is evaluated by the LMTO method. The results show a good agreement with inelastic neutron scattering data and indicate that the three-body interaction is necessary to account for the phonon dispersion. |
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