Korean Journal of Materials Research (한국재료학회지)

Materials Research Society of Korea (한국재료학회)
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Molecular Dyamics Simulation and Far Infrared Measurements of $Ba_{0.6}K_{0.4}BiO_3$

  • Lee, C.Y. (Physics Department, Hannam University) ;
  • Song, Ki.Y. (Physics Department, Hannam University) ;
  • Sperline, R.P. (Department of Chemistry, University of Arizona)
  • Published : 1996.06.01
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Abstract

The vibrational behavior and the molecular dynamics of the high Tc superconductor Ba0.6K0.4BiO3 have been studied experimentally and by atomistic computer simulation methods. For Ba0.6K0.4BiO3, the vibrational spectrum is dominated by oxygen ion modes from 150cm-1 to 820cm-1 including infrared absorption bands at 330, 480, 640 and 830cm-1including infrared absorption bands at 330, 480, 640 and 830cm-1at room temperature. Band assignments are discussed in relation to those bands predicted by simulations, and the infrared and Raman measurements reported in the literature.

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