# Description of  the  device physical regions
$Device
{
   
 Region buffer
   {
      
     material = GaAs

   }




 Region barrier_1
   {
     mesh_regions = (barrier1_cl, barrier1_q)
     
     material =  GaAs
     
   }




   Region QWell
   {
    
     material = InGaAs 
     x = 0.40 

   }


   Region barrier_2
   {
     mesh_regions = (barrier2_q, barrier2_cl)
    
     material = GaAs
    
   }


   # group together the regions for the quantum simulation
   Cluster Quantum_1
   {
     mesh_regions = (barrier1_q, QWell, barrier2_q)
   }



}





# Definition of  Simulation Models  and associated Boundary Conditions 
$Models
{ 

 model driftdiffusion
  { 

    options
    {
     simulation_name = driftdiffusion

     physical_regions = all
    }

    physical_model recombination
    {
      model = srh
    }

    physical_model recombination
    {
      model = direct
      
    }


    BC_Regions  
    {
      BC_Region cathode
      {
        type = ohmic
      
        voltage = 0.0
      }
      
      
      BC_Region anode 
      {
        type = ohmic

	voltage = 0.0
      }


    }

  } 

 model macrostrain
  {
    options
    {
      simulation_name = strain
      physical_regions = all
    }

    BC_Regions  
    {
      BC_Region cathode
      {
	type = substrate
        material = GaAs
	structure = zb  
   
      }
    }
  }

  model efaschroedinger

  {

   
    options
    {
      simulation_name = quantum_electrons
      physical_regions = Quantum_1  
    }

  
  }

 model efaschroedinger

  {

   
    options
    {
     simulation_name = quantum_holes
     physical_regions = Quantum_1 
    }

  
  }

 
}


# Definition of  Model-dependent Solver parameters
$Solver
{
  

 
  driftdiffusion
  {
    coupling = poisson
    nonlinear_solver = tiber
 
    pc_type = lu
  
  }



 macrostrain
  {
    substrate = cathode

  }


  efaschroedinger
  {
  
    x-periodicity = false
    Dirichlet_bc_everywhere = true

    poisson_model_name = driftdiffusion  #  potential from driftdiffusion 
    strain_model_name = macrostrain
    convergent_density = true

  } 

 quantum_electrons 
  {
    particle = el
    number_of_eigenstates = 6
   
  }

 quantum_holes
  {
    particle = hl
    number_of_eigenstates = 12

  }


}



# Definition of  Model dependent physical parameters
$Physics
{
  
  driftdiffusion 
  {

 
    statistics = FD
    strain_simulation = strain
 
  }
   
 quantum_electrons 
  {
    particle = el
    model = conduction_band   #eff mass  cb 
  }

  quantum_holes
  {
    particle = hl
    model = kp   #  k.p  for  valence  band
    kp_model = 6x6

  }




}


# Definition of  model-indipendent parameters of the Simulation


$Simulation
{

  searchpath = ../../materials   
  meshfile = InGaAs_1D.msh 
    
  # mesh is drawn in nm
  mesh_units = 1e-9 
  dimension = 1
  temperature = 300
  solve =  (strain, driftdiffusion, quantum_electrons,quantum_holes )

  resultpath =  output  

  plot = (Ec, Ev, QFermi_e, QFermi_h, EField , eDensity, hDensity, eCurrent, hCurrent, CurrentDensity, ContactCurrents, NetRecombination, strain, polarization, EigenFunctions, EigenEnergy,EnergyLevels)
 
  output_format = grace

}