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  input-scaling-factors

 

 

 
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input-scaling-factors

The base system for units is SI. However, all input quantities are assumed to be given in scaled form.
For physical constants, see $physical-constants.

 

!---------------------------------------------------------!
$input-scaling-factors                          required  !
 q0                                   double    required  !
 m0                                   double    required  !
 l0                                   double    required  !
 e0                                   double    required  !
 n3d0                                 double    required  !
 n2d0                                 double    required  !
 n1d0                                 double    required  !
 eps0                                 double    required  !
 phi0                                 double    required  !
 prs0                                 double    required  !
 
t0                                   double    required  !
 kp_k^0_zb                            double    required  ! zb =
zinc blende
 kp_k^2_zb                            double    required  ! zb =
zinc blende
 kp_k^0_wz                            double    required  ! wz =
wurtzite
 kp_k^2A_wz                           double    required  ! wz =
wurtzite
 kp_k^2B_wz                           double    required  ! wz =
wurtzite
$end_input-scaling-factors                      required  !
!---------------------------------------------------------!

 

Syntax

It is assumed, that input numbers are scaled to these "units".

 q0         = 1.6021766208e-19         ! charge [|electron-charge|]
 m0         = 9.10938356e-31           !
mass [free electron mass]
 l0         = 1e-9                     !
length [nm]
 e0         = 1.6021766208e-19         !
energy [eV]
 n3d0       = 1e24                     !
3-dimensional number density [1018 cm-3]
 n2d0       = 1e16                     !
2-dimensional number density [1012 cm-2]
 n1d0       = 1e8                      !
1-dimensional number density [106  cm-1]
 eps0       = 8.854187817e-12          !
dielectric constants [vacuum-permittivity] (exact) 8.854187817...e-12
 phi0       = 1e0                      !
electrostatic potential [V]
 prs0       = 1e9                      !
pressure [GPa], e.g. for elastic constants
 t0         = 1e-9                     !
time [ns]

 kp_k^0_zb  = 1.6021766208e-19         !
spin-orbit coupling energy, deformation potentials [eV]
 kp_k^2_zb  = 6.104264214606464e-39    !
k.p parameter L,M,N    [h_bar^2/(2*m0)]  [J m^2]

 kp_k^0_wz  = 1.6021766208e-19         !
spin-orbit coupling energy, deformation potentials [eV]
 kp_k^2A_wz = 1.0                      !
k.p parameter A1,A2,A3,A4,A5,A6 [-],
                                       !   
multiplied internally with [h_bar^2/(2*m0)]
 kp_k^2B_wz = 6.104264214606464e-39    !
k.p parameter B1,B2,B3 [h_bar^2/(2*m0)]  [J m^2]

 

Note:

[h_bar^2/(2*m0)] =  kp_k^2_zb
                 =  kp_k^2B_wz

 

Scaling quantities are stored in MODULE mod_input_scaling.

!***********************************!
MODULE mod_input_scaling            !
!***********************************!
!-----------------------------------! It is assumed that input numbers are scaled to these "units".
 REAL(8) :: q0                      ! charge [|electron-charge|]
 REAL(8) :: m0                      ! mass   [free electron mass]
 REAL(8) :: l0                      ! length [nm]
 REAL(8) :: e0                      ! energy [Electron Volt]
 REAL(8) :: n3d0                    ! 3-dimensional number density [1018 cm-3]
 REAL(8) :: n2d0                    ! 2-dimensional number density [1012 cm-2]
 REAL(8) :: n1d0                    ! 1-dimensional number density [106 cm-1]
 REAL(8) :: eps0                    ! dielectric constants [vacuum-permittivity]
 REAL(8) :: phi0                    ! electrostatic potential [V]
 REAL(8) :: prs0                    ! pressure [GPa]
 REAL(8) :: t0                      ! time [ns]
 REAL(8) :: kp_k0_zb                ! spin-orbit, deformation potentials [eV]
 REAL(8) :: kp_k2_zb                !
k.p parameter L,M,N    [h_bar^2/(2*m0)]  [J m^2]
 REAL(8) :: kp_k0_wz                !
spin-orbit, deformation potentials [eV]
 REAL(8) :: kp_k2A_wz               !
k.p parameter A1,A2,A3,A4,A5,A6 [-],
                                    !   
multiplied internally with [h_bar^2/(2*m0)]
 REAL(8) :: kp_k2B_wz               !
k.p parameter B1,B2,B3 [h_bar^2/(2*m0)]  [J m^2]
!-----------------------------------!

!***********************************!
END MODULE mod_input_scaling        !

!***********************************!

The corresponding numbers with respect to SI are taken from database_nn3.in.