User Tools

Site Tools


qcl:material_database

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
qcl:material_database [2017/02/10 17:47]
stefan.birner
qcl:material_database [2021/01/04 15:04] (current)
thomas.grange
Line 1: Line 1:
-====== Material database ​======+===== Material database =====
  
-The material database file is called ''​Material_Database.xml''​. +The default ​material ​parameters are stored in a database file called ''​Material_Database.xml''​. 
-The [[http://​www.nextnano.com/​nextnano3/​nextnano.MSB/​material_database.htm|material database syntax]] is the same as for the nextnano.MSB code. + 
-The default material parameters are taken from I. Vurgaftman, J. R. Meyer, L. R. Ram-Mohan, J. Appl. Phys. 89, 5815 (2001).+This default material database can be open in the nextnanomat GUI though:  
 + 
 +File => Open nextnano.NEGF Default Database 
 + 
 +If you run nextnano.NEGF via the nextnanomat GUI, you can choose to read in a customized material database as follows: 
 + 
 +nextnanomat => Tools => Options => Material database => nextnano.NEGF database file 
 + 
 +Note that this material database shares the same structure with the one of the nextnano.MSB code, which documentation can be found here: 
 +[[https://​www.nextnano.com/​manual/​nextnano.MSB/​material_database.html|Material Database]] 
 + 
 +Most of the default material parameters are taken from I. Vurgaftman, J. R. Meyer, L. R. Ram-Mohan, J. Appl. Phys. 89, 5815 (2001).
  
-//Comment only relevant for previous executables:​ 
-A few material parameters that are used by the nextnano.QCL software are stored in the executable itself. 
 Some parameters can be overwritten in the input file, see section on ''<​Material_Parameters>''​ in the [[qcl:​input_file|input file documentation]]. Some parameters can be overwritten in the input file, see section on ''<​Material_Parameters>''​ in the [[qcl:​input_file|input file documentation]].
-//+ 
 +<​code>​ 
 + <​!-- parameter that accounts for remote-band effects in 8-band k.p theory --> 
 + S = 1+2F 
 +</code> 
 + 
 +The deformation potential 
 + 
 +<​code>​ 
 + <​DeformationPotential Unit="​eV">​-7.2<​/DeformationPotential>​ 
 +</​code>​ 
 + 
 +corresponds to ''​a_c''​ of Vurgaftman (i.e. for the conduction band only) in the isotropic approximation. 
 +It is used to calculate the shift of the conduction band edge due to strain. 
 +It is also used to calculate scattering by acoustic phonons (which is a very small effect, almost negligible in typical QCLs and RTDs). 
qcl/material_database.1486748839.txt.gz · Last modified: 2017/02/10 17:47 by stefan.birner