Database
Here you can find detailed descriptions about the keywords
and specifiers in the
default parameter database input file
database_nn3.in and
the general definitions file
database_nn3_keywords.val .
The scheme is
keywords.val (general definitions) <-
input_file1.in (input
sample data)
database_nn3_keywords.val
(general definitions) <- database_nn3.in (input database data)
Valid keywords for the parameters of the default parameter database are
listed in
database_nn3_keywords.val .
This is the place to enter new keywords if one wants to add new parameters. In
principle, one should only enter into this database keywords, which are marked
as 'required '. Through this it is warranted that corresponding
entries in the database actually do occur. (The
input parser checks this, but only their existence!)
Additionally, the new keywords have to be entered into
keywords.val .
E.g. for zinc blende materials the keyword is
$binary_zb_default . On this basis, the entries in
the data base
database_nn3.in have to be
complemented for the newly declared values for all affected known materials.
This also includes the adaption of changes in the data types of already existing
parameters (e.g. double ->
double_arra y).
Parameters can be found in the review paper of Vurgaftman
et al. "Band
parameters of III-V compound semiconductors and their alloys".
General
$input_filename
$program_restrictions
$warnings
$physical-constants
$input-scaling-factors
$global-parameters -
temperature
Sample
$domain-coordinates-defaults
$region-default
Materials
$binary-zb-default
$binary-wz-default
$ternary-zb-default
$ternary-wz-default
$default-materials
$default-material-models
$zb-restrictions
$wz-restrictions
$zb-default-expectations
$wz-default-expectations
$known-function-names
$buffer-solutions (for
Bio-Chips: Electrolyte ->
Poisson-Boltzmann equation)
$buffer-constant-A(T) (for
Bio-Chips: Electrolyte ->
Poisson-Boltzmann equation)
$tight-binding-parameters
Doping
$known-doping-functions
$known-impurity-types
$interface-state-limitations
Quantum
$quantum-models-electrons
$quantum-models-holes
$separation-models-electron s
$separation-models-holes
$method-of-brillouin-zone-integration
$k-range-determination-methods
Transport
$transport-models
$mobility-models
$mobility-model-constant
- only for undoped structures
$mobility-model-simba
$mobility-model-lom -
Lombardi model, for Si only
$mobility-model-dar -
Darwish model, for Si only
$mobility-model-masetti
- Masetti model
$mobility-model-arora -
Arora model
$mobility-model-minimos -
Model used in MINIMOS 6
Recombination
$SRH-recombination -
Shockley, Read, Hall model
$Auger-recombination
$direct-recombination
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