Dear All, I am trying to calculate the band gap from a density of states (DOS) plot for LaFeO3 but haven't been successful.
Upon reading around I find out that the band gap is the energy difference between the Conduction band minimum and the Valence band maximum. >From the DOS plot below, is it right for me to use a metre rule (*though >sounds funny*) to measure the difference between the peaks/ bands at the fermi >level (E-Ef)? Please direct me if there is a better way of calculating it. Thanks .. Isaac Wiafe Boateng |Graduate Student Department of Chemistry, Theoretical and Computational Chem. Lab KNUST, Kumasi - Ghana +233 (0) 275 632712 Alt. e-mail: [email protected]
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