On the origin of photoluminescence in silicon nanocrystals: pressure-dependent structural and optical studies.

Hannah, Daniel C; Yang, Jihua; Podsiadlo, Paul; Chan, Maria K Y; Demortière, Arnaud; Gosztola, David J; Prakapenka, Vitali B; Schatz, George C et al. · Nano Lett · 2012

basic_science · Level V

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Abstract

A lack of consensus persists regarding the origin of photoluminescence in silicon nanocrystals. Here we report pressure-dependences of X-ray diffraction and photoluminescence from alkane-terminated colloidal particles. We determine the diamond-phase bulk modulus, observe multiple phase transitions, and importantly find a systematic photoluminescence red shift that matches the X(conduction)-to-Γ(valence) transition of bulk crystalline silicon. These results, reinforced by calculations, suggest that the efficient photoluminescence, frequently attributed to defects, arises instead from core-states that remain highly indirect despite quantum confinement.