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Phonon frequency analysis

  1. Jan 10, 2009 #1
    Hello all,

    I have calculated the phonon energies and frequencies in some code for bulk GaAs. Now I want to analyse these frequencies, I do not know which ones are the acoustic ones which are the optical and how I can recognize the LOTO splitting ?!?! Here is the calculated phonons:

    Phonon at Gamma, with non-analyticity in the
    direction (cartesian coordinates) 0.00000 0.00000 1.00000
    Phonon energies in Hartree :
    5.665992E-06 4.014680E-06 8.180712E-06 4.137327E-04 4.137535E-04
    1.190558E-03 1.862773E-03 1.862777E-03 2.004961E-03 2.004964E-03
    2.515178E-03 2.565316E-03
    Phonon frequencies in cm-1 :
    - 1.243542E-01 8.811204E-01 1.795459E+00 9.080384E+01 9.080840E+01
    - 2.612972E+02 4.088315E+02 4.088322E+02 4.400381E+02 4.400387E+02
    - 5.520177E+02 5.630218E+02

    regards,
    Sara
     
  2. jcsd
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