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nextnano3 - Input file generator 1D

Next Generation 3D Nano Device Simulator


Step 4: Specify overall simulation parameters and output options

Overall simulation parameters    
warnings   Info
warnings on  off
global-parameters   Info
  lattice-temperature K  
simulation-flow-control   Info
flow-scheme *   calculates ... 2   Schrödinger-Poisson-current
           (self-consistent)
3   Schrödinger
 4   Poisson-current (self-consistent)
Info
 
  raw-directory-in    
  raw-potential-in  
  raw-sweep-index-in  
  strain-calculation * homogeneous-strain
no-strain
raw-strain-in
 
domain-coordinates   Info
  pseudomorphic-on
(can be ignored if no-strain)
 
alloy-concentration of substrate (if applicable)
hkl-x-direction-zb                  (default: 1 0 0)
hkl-y-direction-zb                  (default: 0 1 0)
hkl-z-direction-zb (calculated internally)   (default: 0 0 1)
hkil-x-direction (for wurtzite only)               (default: 1 0 -1 0)
hkil-y-direction (for wurtzite only)               (default: -1 2 -1 0)
hkil-z-direction (for wurtzite only) (calculated internally)   (default: 0 0 0 1)
  growth-coordinate-axis * along x   along y   along z  
Output    
output-bandstructure   Info
  destination-directory    
  conduction-band-numbers  
valence-band-numbers
  potential  
  electric-field  
output-strain   Info
  destination-directory    
  hydrostatic-strain  
output-densities   Info
  destination-directory    
  electrons  
  holes  
  charge-density  
  intrinsic-density  
  ionized-dopant-density  
  piezo-electricity  
  pyro-electricity  
  interface-density  
  integrated-density  
  subband-density  
output-current-data   Info
  destination-directory    
  current  
  fermi-levels  
  mobility-out  
output-1-band-schroedinger   Info
  destination-directory    
  conduction-band-numbers  
  min/max eigenvalue cb-min-ev      cb-max-ev  
  valence-band-numbers  
min/max eigenvalue vb-min-ev       vb-max-ev
output-kp-data   Info
  include k.p? yes   no  
  destination-directory    
  scale        (scale factor)  
  bulk-kp-dispersion yes   no  
      grid-position nm    (must lie in quantum region)  
      k-direction-to-k-point [1/nm]  
      number-of-k-points (resolution)  
  k-par-dispersion yes   no  
      k-par-disp-ev-min  
      k-par-disp-ev-max  
       
  conduction band    
  cb-num-ev-min  
  cb-num-ev-max  
  cb-k-par-min  
  cb-k-par-max  
  cb-k-SL-min       (only for superlattice)  
  cb-k-SL-max       (only for superlattice)  
  valence bands    
  vb-num-ev-min  
  vb-num-ev-max  
  vb-k-par-min  
  vb-k-par-max  
  vb-k-SL-min       (only for superlattice)  
  vb-k-SL-max       (only for superlattice)  
output-raw-data   Info
  destination-directory    
  potential
Fermi levels
k.p eigenstates


 

The script will generate a file called general_part_beta.txt and output_part_beta.txt on our server.

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