Transmission coefficients
Asked by
samantha poulsen
I tried to reproduce Transmission coefficients of GeTe sandwiched between metallic electrodes. despite previously mentioned in the literature that this material has a 0.7 eV band gap the Transmission coefficients that I have calculated is not zero near the Fermi energy(band gap). can anyone guide me about the potential reason for this error? I should mention that I used proper mesh cut off, k-points, PAO basis and also relaxed the scattering region and interfaces.
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- Nick Papior
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