Computer Simulations of Silicon Nanowires and its Visualization with π-CAVE System

(from “Field 2 ‹New Materials and Energy Creation› in HPCI Strategic Program”)

Abstract

  Silicon nanowires have attracted much attention as a next-generation semiconductor device. We performed electronic-structure calculations of tens-of-thousands-atom silicon nanowires, whose sizes are same as realistic devices, by our RSDFT code on K computer. We found that efficiency of the nanowire device is unaffected by surface roughness of nanowire. We also performed three-dimensional visualization by using the π-CAVE system to obtain detailed distribution of wave functions. Finally, we state that visualization technique is important field to find new physical phenomenon.