Abstract
Recently, one-dimensional semiconductor nanostructures called "nanowires" are attracting much interest due to their applications for future nano-devices. It is, however, reported that nanowires fabricated using compound semiconductor materials include wurtzite segments such as rotational twins. In this work, we focus on the fact that the number of atoms constituting the nanowire facets is large compared to the total number of nanowire atoms. Based on our computational approach using system energy calculations, we systematically investigate the relative stability between zinc blende-wurtzite structures in compound semiconductor nanowires, and discuss the incorporation of wurtzite segments upon the zinc blende structure during nanowire growth.
