Comment on "Quantum Confinement and Optical Gaps in Si Nanocrystals"
classification
❄️ cond-mat.mtrl-sci
keywords
opticalnanocrystalsaccountagreementcalculatecalculationschelikowskycomment
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We show that the method used by Ogut, Chelikowsky and Louie (Phys. Rev. Lett. 79, 1770 (1997)) to calculate the optical gap of Si nanocrystals omits an electron-hole polarization energy. When this contribution is taken into account, the corrected optical gap is in excellent agreement with semi-empirical pseudopotential calculations.
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