INP/pwz.inp

   1  !  SELF-ASSEMBLED QUANTUM DOTS: Barrier=AlN, Well=GaN
   2  !  AXIAL SYMMETRY
   3  !  STRAIN DISTRIBUTION. Data from Vurgaftman
   4  !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   5  !!! QD Structure input
   6  5.000                               ! Wetting layer thickness (A): DWL
   7  1                                   ! ISHAPE 1-Trunc. Cone;2-Cap
   8  21.6E0                              ! Height of the dot (A): HQD
   9  90.E0                               ! Base Radius
  10  52.60E0                             ! Top Radius
  11  !!!  Superlattice Input
  12  275.E0,275.E0,86.E0                 !Superlattice constants
  13  1.E0,0.E0,0.E0                      !Superlattice vector a1
  14  0.E0,1.E0,0.E0                      !Superlattice vector a2
  15  0.E0,0.E0,1.E0                      !Superlattice vector a3
  16  1,1,1                               !Number of Dots along X,Y,Z direction (odd)
  17  !!!  Grid Input
  18  0                                   !Grid Method: 0->Manual 1->Auto (Unit spercell)
  19  0.E0,180.E0                         !X_Min,X_Max
  20  0.E0,350.E0                         !Y_Min,Y_Max
  21  -51.E0,65.E0                        !Z_Min,Z_Max
  22  15,1,15                             !Number of Points in each direction (odd)
  23  !!! Material Parameters
  24  3                                   ! MTYPE: 1-> ZBI, 2-> WZI, 3-> WZA
  25  4.010,0.500,0.010,0.0056,0.0056     ! W potentials (eV): VWE,VWH,DW1,DW2,DW3
  26  6.250,0.000,-0.169,0.0063,0.0063    ! B potentials (eV): VBE,VBH,DB1,DB2,DB3
  27  -4.9,-11.3,-3.7,4.5                 ! Well deformation pot. (eV): C1,C2,D1,D2
  28  8.2,-4.1,-4.0,-5.5                  ! Well deformation pot. (eV): D3,D4,D5,D6
  29  396.0,108.0,373.0                   ! C11,C13,C33
  30  137.0,116.0                         ! Lame constants (GaAs): XLAMB=C12, XMU=C44
  31  -0.024E0                            ! Misfit strain: EPSA
  32  -0.039E0                            ! Misfit strain: EPSC
  33  0.3255,-0.5274,0.8946               ! Well piezoelectric constants PZE15,PZE31,PZE33
  34  -0.090, -0.034                      ! Barrier and well spontaneous pol.
  35  9.6                                 ! Barrier Dielectric Constant
  36  !!! Kind of Calculation
  37  0.5                                 ! CARAC_MAX
  38  0                                   ! STR_Action 0-> Nothing 1-> Caculate 2-> Read
  39  2                                   ! PZO_Action 0-> Nothing 1-> Caculate 2-> Read
  40  1                                   ! POT_Action 0-> Nothing 1-> Caculate
  41  0                                   ! DIAG_Action 0-> Only Diagonal, 1->Full Hamiltonian
  42  !!! Output Details
  43  STR_BG.nc                           ! Strain Output File
  44  PZO_BG.nc                           ! Piezo Output File
  45  POT_BG.nc                           ! Potential Output File
  46  0                                   ! Cylindrycal or cartesian strain components: 0 -> Cartesian; 1-> Cylindrical
  47  !!! End of Input