www.nextnano.com/documentation/tools/nextnano3/input_syntax/keywords/material-interfaces.html
material-interfaces
To specify additional charges at material interfaces, one has to specify
- material interfaces
- interface state properties.
See also documentation under keyword
$interface-states.
!-------------------------------------------------------------------!
$material-interfaces
optional !
interface-number
integer
required !
apply-between-material-numbers
integer_array
required !
state-numbers
integer_array required !
$end_material-interfaces
optional !
!-------------------------------------------------------------------!
Syntax
interface-number =
1
1,2,...
Dense numbering as usual.
apply-between-material-numbers =
3 4
Two integer numbers to refer to interface between geometry
clusters, i.e. it contains the material numbers of the adjoining regions.
Is
3 4
equivalent to
4 3
in 1D? This becomes relevant for 2D and 3D simulations.
state-numbers =
1
Identification numbers of interface states (e.g. fixed charge,
trap, k.p interface Hamiltonian or electrolyte) defined under keyword
$interface-states.
Note:
interface-number
= 1
apply-between-material-numbers = integer1 integer2
There can only be one unique interface-number for the
the interface between integer1 and
integer2.
Example:
interface-number
= 1
apply-between-material-numbers = 3 4
interface-number
= 2
apply-between-material-numbers = 3 4
! '3 4'
has already been assigned in 'interface-number = 1'
This doesn't make sense!!!
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