Anonymous @ on
quantum mechanical charge appears to be over-estimated by a factor of 5.7
Comparing the semiclassical charge for a long, highly doped contact to the single pass quantum mechanical charge appears to result in charge that is about a factor 5.7 to high. This must be a bug in the code.
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Samarth Agarwal @ on
There is indeed a discrepancy in the semi-classical charge and the single pass quantum mechanical charge. The mistake stems from the fact that charge is found by integrating over the k states analytically. In this analytic integration there should appear a constant factor because of the analytic(parabolic) band-structure which has been assumed. It seems this constant factor is missing and will be corrected in the next release of the code.
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