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qcl:material_database [2017/05/19 14:08]
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).+
  
-Some parameters ​can be overwritten ​in the input file, see section on ''<​Material_Parameters>''​ in the [[qcl:input_file|input file documentation]].//​+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).
 +
 +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).
  
-S = 1+2F <!-- parameter that accounts for remote-band effects in 8-band k.p theory --> 
qcl/material_database.1495202914.txt.gz · Last modified: 2017/05/19 14:08 by stefan.birner