How to create a nanowire structure using structureditor

1) Open structureditor (octave)

                       Octave

2) Create Surface 111

   a) load struct file s = loadstructure "case.struct" . "s" is input structure

                     S=loadstruct ("ZnO.struct")

  b) make surface 111 using S1= make surface (input structure, surface direction, 0, material thickness, vacuum thickness)

                     S1=makesurface (S, {1,1,1 }, 0, 30,0,0)

  c) display structure using showstruct (input structure )

                         
                     Showstruct (S1)


  d' save the structure file in struct format

                         Savestruct (S1, "ZnO_111.struct")


From the structure displayed, the 111 direction is in z direction. To build the 111 norewire, we need to put vacuum in the x and y directions.

3) Create vacuum in x and y directions uing supercell

                          X supercell

Reerence: