作者: Tianshu Li , Francois Gygi , Giulia Galli
DOI: 10.1103/PHYSREVLETT.107.206805
关键词: Valence band 、 Optoelectronics 、 Materials science 、 Quantum 、 Electronic states 、 Light emission 、 Oxide matrix 、 Oxide 、 Amorphous solid 、 Nanocrystal
摘要: We present coupled classical and quantum simulations of 1 to 2 nm Si nanocrystals (NCs) embedded in amorphous SiO(2) we show that by tuning the density oxide matrix one may change relative alignment NC electronic states at interface. find interfacial strain plays a key role determining variation nanaoparticle gap as function size, well conduction band offsets with oxide. In particular, our results it is valence offset size responsible for change. Our findings suggest elastic properties embedding be tuned tailor energy levels small NCs so optimize their performance optoelectronic devices solar cells.