$calculatekp

$calculatekp is the command to solve 6x6 k.p Hamiltonian for nitride or wurtzite based wide bandgap materials.

$calculatekp
all
 $θ$ 
 $ϕ$ 
kx_nmax  ky_nmax dk 
A1 A2 A3 A4 A5 A6 A7  
A1 A2 A3 A4 A5 A6 A7
A1 A2 A3 A4 A5 A6 A7
A1 A2 A3 A4 A5 A6 A7
..... (n layers)
Weighting  $Δ_{1}$    $Δ_{2}$    $Δ_{3}$  a c  $c_{11}$   $c_{12}$   $c_{13}$   $c_{33}$   $c_{44}$   $c_{66}$ 
Weighting  $Δ_{1}$    $Δ_{2}$    $Δ_{3}$  a c  $c_{11}$   $c_{12}$   $c_{13}$   $c_{33}$   $c_{44}$   $c_{66}$ 
Weighting  $Δ_{1}$    $Δ_{2}$    $Δ_{3}$  a c  $c_{11}$   $c_{12}$   $c_{13}$   $c_{33}$   $c_{44}$   $c_{66}$ 
Incom D1 D2 D3 a c  $c_{11}$   $c_{12}$   $c_{13}$   $c_{33}$   $c_{44}$   $c_{66}$ 
..... (n layers)
 $D_{1}$   $D_{2}$   $D_{3}$   $D_{4}$   $D_{5}$   $D_{6}$ 
 $D_{1}$   $D_{2}$   $D_{3}$   $D_{4}$   $D_{5}$   $D_{6}$ 
 $D_{1}$   $D_{2}$   $D_{3}$   $D_{4}$   $D_{5}$   $D_{6}$ 
 $D_{1}$   $D_{2}$   $D_{3}$   $D_{4}$   $D_{5}$   $D_{6}$ 
.....(n layers)

Weighting is usually defined as 1 if each layer's parameters are calculated by user or GUI program.

However, if it is not equal to 1, all parameters such as $Δ_{1}$ $Δ_{2}$ $Δ_{3}$ a c $c_{11}$ $c_{12}$ $c_{13}$ $c_{33}$ $c_{44}$ $c_{66}$ $D_{1}$ $D_{2}$ $D_{3}$ $D_{4}$ $D_{5}$ $D_{6}$ will be weighted by

 n_layer_parameters = Weighting(n_layer_parameters) + (1-Weighting)*last_layer_parameters  

For example, if we have 5 layers, and weighting of the second layer is 0.5, then  

  $Δ_{1} (2)$  = $Δ_{1} (2) * W e i g h t i n g_{2} + Δ_{1} (5) * (1 - W e i g h t i n g_{2})$

$calculatekp

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