Tailored nanoheterojunctions for optimized light emission.

作者: Tianshu Li , Francois Gygi , Giulia Galli

DOI: 10.1103/PHYSREVLETT.107.206805

关键词: Valence bandOptoelectronicsMaterials scienceQuantumElectronic statesLight emissionOxide matrixOxideAmorphous solidNanocrystal

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.

参考文章(33)
Aaron Puzder, Andrew J. Williamson, Jeffrey C. Grossman, Giulia Galli, Computational studies of the optical emission of silicon nanocrystals. Journal of the American Chemical Society. ,vol. 125, pp. 2786- 2791 ,(2003) , 10.1021/JA0293296
T. van Buuren, L. N. Dinh, L. L. Chase, W. J. Siekhaus, L. J. Terminello, Changes in the Electronic Properties of Si Nanocrystals as a Function of Particle Size Physical Review Letters. ,vol. 80, pp. 3803- 3806 ,(1998) , 10.1103/PHYSREVLETT.80.3803
C. Bostedt, T. van Buuren, T. M. Willey, N. Franco, L. J. Terminello, C. Heske, T. Möller, Strong quantum-confinement effects in the conduction band of germanium nanocrystals Applied Physics Letters. ,vol. 84, pp. 4056- 4058 ,(2004) , 10.1063/1.1751616
Anna Zimina, Stefan Eisebitt, Wolfgang Eberhardt, Johannes Heitmann, Margit Zacharias, Electronic structure and chemical environment of silicon nanoclusters embedded in a silicon dioxide matrix Applied Physics Letters. ,vol. 88, pp. 163103- ,(2006) , 10.1063/1.2193810
Tianshu Li, Davide Donadio, Luca M. Ghiringhelli, Giulia Galli, Surface Induced Crystallization in Supercooled Tetrahedral Liquids arXiv: Statistical Mechanics. ,(2008) , 10.1038/NMAT2508
D. Donadio, M. Bernasconi, F. Tassone, Photoelasticity of crystalline and amorphous silica from first principles Physical Review B. ,vol. 68, pp. 134202- ,(2003) , 10.1103/PHYSREVB.68.134202
L. Dal Negro, J. H. Yi, L. C. Kimerling, S. Hamel, A. Williamson, G. Galli, Light emission from silicon-rich nitride nanostructures Applied Physics Letters. ,vol. 88, pp. 183103- ,(2006) , 10.1063/1.2191956
William L. Warren, P. M. Lenahan, Sean E. Curry, First observation of paramagnetic nitrogen dangling-bond centers in silicon nitride Physical Review Letters. ,vol. 65, pp. 207- 210 ,(1990) , 10.1103/PHYSREVLETT.65.207
T. Anh Pham, Tianshu Li, Sadasivan Shankar, Francois Gygi, Giulia Galli, First-principles investigations of the dielectric properties of crystalline and amorphous Si3N4 thin films Applied Physics Letters. ,vol. 96, pp. 062902- ,(2010) , 10.1063/1.3303987
L. Pavesi, L. Dal Negro, C. Mazzoleni, G. Franzò, F. Priolo, Optical gain in silicon nanocrystals Nature. ,vol. 408, pp. 440- 444 ,(2000) , 10.1038/35044012