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Find band gap, energy gap for semiconductor using software

  1. Oct 13, 2008 #1
    1. The problem statement, all variables and given/known data

    I'm using Exciting software, which run in Linux for windows (virtual).
    My task is to find band gap, energy gap and so on for semiconductor material using this software. I have to find band gap, energy gap and so on properties for Thallium Gallium Phosphide (TlGaP). To get the value for each properties, i have to put in the lattice vector value in each input calculation, which will calculate by the software. many books have default value for GaP, GaAs and many more so i can just tahe it directly. But,i can't find the value for Thallium Phosphide (TlP).
    The problem is, i don't know how to calculate the lattice vector for Thallium Phosphide.

    2. Relevant equations

    Lattice vector equation

    3. The attempt at a solution

    any value from a book or using formula
  2. jcsd
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