SnSi nanocrystals of zinc-blende structure in a Si matrix

作     者：Alexander Tonkikht Andrey Klavsyuk Nikolay Zakharov Alexander Saletsky Peter Werner 

作者机构：Max Planck Institute of Microstructure Physics Halle(Saale) 06120 Germany Faculty of Physics Moscow State University Moscow 119991 Russian Federation 

出 版 物：《Nano Research》 (纳米研究（英文版）)

年 卷 期：2015年第8卷第12期

页      面：3905-3911页

核心收录：

学科分类：080903[工学-微电子学与固体电子学] 0710[理学-生物学] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 071006[理学-神经生物学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：Research Computing Center of the Moscow State University (MSU NIVC) The financial support of the BMBF the Russian Foundation of Basic Researches 

主　　题：epitaxy density functional theory zinc-blende Si-Sn alloy 

摘      要：A zinc-blende （sphalerite） crystallographic structure of SnSi nanocrystals generated by molecular-beam epitaxy is observed by electron microscopy techniques in a Si matrix. Ab initio density-functional modeling reveals a stabilizing effect of the Si matrix, which results in the lowest formation enthalpy of SnSi nanocrystals having the unexpected zinc-blende structure. Such nanocrystals could be applied in Si photonics to function as non-centrosymmetric media for the nonlinear optical process of second harmonic generation.