QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: ramkrishna on July 12, 2011, 09:59
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How to calculate intrinsic carrier density of a unbiased Si -nanowire?
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Such physical quantity cannot be calculated directly the DFT code (including the ATK). According to the formula (which can be found in a book of semiconductor physics) of carrier density in an intrinsic semiconductor, one may estimate it once the band gap is calculated by the DFT code.