Dear All,
I try to calculate the band gap of bulk ZnS . I get the value of energy band
gap aroung 2.8 eV from the plot of band structure ploted by gnuplot i.e.
difference of energies of valance band maxima and conduction band minima . And
then i calculate the value of energy band gap from DOS plot and this time it
comes out to be around 3.4 eV. As we know in bulk ZnS the value of energy band
gap is 3.6 ev So i want to ask that what is the right choice to calculate the
value of energy band gap of a material. From DOS or from band structure plot?
is there any other way to calculate it?
Thank you.
With best regards
Vikas Thakur.
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