public override void Get_ChargeDensity(ILayer[] layers, ref SpinResolved_Data density, Band_Data chem_pot)
{
for (int i = 0; i < nx; i++)
for (int j = 0; j < ny; j++)
for (int k = 0; k < nz; k++)
{
double x = dx * i + xmin;
double y = dy * j + ymin;
double z = dz * k + zmin;
// get the relevant layer
ILayer current_Layer = Solver_Bases.Geometry.Geom_Tool.GetLayer(layers, x, y, z);
// calculate the density at the given point
ZeroD_Density charge_calc = new ZeroD_Density(current_Layer, temperature);
double local_charge_density = charge_calc.Get_CarrierDensity(chem_pot.vol[k][i, j]);
// as there is no spin dependence in this problem yet, just divide the charge into spin-up and spin-down components equally
density.Spin_Down.vol[k][i, j] = 0.5 * local_charge_density;
density.Spin_Up.vol[k][i, j] = 0.5 * local_charge_density;
}
}
public override void Get_ChargeDensity(ILayer[] layers, ref SpinResolved_Data carrier_density, ref SpinResolved_Data dopent_density, Band_Data chem_pot)
{
Band_Data car_dens_spin_summed = carrier_density.Spin_Summed_Data;
Band_Data dop_dens_spin_summed = dopent_density.Spin_Summed_Data;
for (int i = 0; i < nz; i++)
{
double z = dz * i + zmin;
double local_dopent_density;
double local_carrier_density = car_dens_spin_summed.vec[i];
// get the relevant layer and if it's frozen out, don't recalculate the charge
ILayer current_Layer = Solver_Bases.Geometry.Geom_Tool.GetLayer(layers, z);
// calculate the density at the given point
ZeroD_Density charge_calc = new ZeroD_Density(current_Layer, temperature);
if (!current_Layer.Dopents_Frozen_Out(temperature))
{
local_dopent_density = charge_calc.Get_DopentDensity(chem_pot.vec[i]);
local_carrier_density = charge_calc.Get_CarrierDensity(chem_pot.vec[i]);
}
else
{
// if the density is frozen out, on the first step, this will add the carrier density to the dopent density
// to give a total, frozen-out charge. After that, the local carrier density is set to zero and so this value
// should not change
local_dopent_density = dop_dens_spin_summed.vec[i];
local_carrier_density = charge_calc.Get_CarrierDensity(chem_pot.vec[i]);
}
// as there is no spin dependence in this problem yet, just divide the charge into spin-up and spin-down components equally
dopent_density.Spin_Down.vec[i] = 0.5 * local_dopent_density;
dopent_density.Spin_Up.vec[i] = 0.5 * local_dopent_density;
carrier_density.Spin_Down.vec[i] = 0.5 * local_carrier_density;
carrier_density.Spin_Up.vec[i] = 0.5 * local_carrier_density;
}
}
public override SpinResolved_Data Get_ChargeDensity_Deriv(ILayer[] layers, SpinResolved_Data carrier_density_deriv, SpinResolved_Data dopent_density_deriv, Band_Data chem_pot)
{
for (int i = 0; i < nz; i++)
{
double z = dz * i + zmin;
// get the relevant layer and if it's frozen out, don't recalculate the dopent charge
ILayer current_Layer = Solver_Bases.Geometry.Geom_Tool.GetLayer(layers, z);
ZeroD_Density charge_calc = new ZeroD_Density(current_Layer, temperature);
if (!current_Layer.Dopents_Frozen_Out(temperature))
{
double local_dopent_density_deriv = charge_calc.Get_DopentDensityDeriv(chem_pot.vec[i]);
dopent_density_deriv.Spin_Up.vec[i] = 0.5 * local_dopent_density_deriv;
dopent_density_deriv.Spin_Down.vec[i] = 0.5 * local_dopent_density_deriv;
}
else
{
dopent_density_deriv.Spin_Up.vec[i] = 0.0;
dopent_density_deriv.Spin_Down.vec[i] = 0.0;
}
carrier_density_deriv.Spin_Up.vec[i] = 0.5 * charge_calc.Get_CarrierDensityDeriv(chem_pot.vec[i]);
carrier_density_deriv.Spin_Down.vec[i] = 0.5 * charge_calc.Get_CarrierDensityDeriv(chem_pot.vec[i]);
}
return carrier_density_deriv + dopent_density_deriv;
}
public double Get_Chemical_Potential(double z, ILayer[] layers, double temperature_input)
{
ZeroD_Density chem_pot_cal = new ZeroD_Density(Solver_Bases.Geometry.Geom_Tool.GetLayer(layers, z), temperature_input);
return chem_pot_cal.Get_Equilibrium_Chemical_Potential();
}
public override SpinResolved_Data Get_ChargeDensity_Deriv(ILayer[] layers, SpinResolved_Data carrier_density_deriv, SpinResolved_Data dopent_density_deriv, Band_Data chem_pot)
{
for (int i = 0; i < nx; i++)
for (int j = 0; j < ny; j++)
{
// leave the edges zeroed
if (i == 0 || i == nx - 1 || j == 0 || j == ny - 1)
continue;
double x = dx * i + xmin;
double y = dy * j + ymin;
// get the relevant layer and if it's frozen out, don't recalculate the dopent charge
ILayer current_Layer = Solver_Bases.Geometry.Geom_Tool.GetLayer(layers, plane, x, y, pos_z);
ZeroD_Density charge_calc = new ZeroD_Density(current_Layer, temperature);
if (!current_Layer.Dopents_Frozen_Out(temperature))
{
double local_dopent_density_deriv = charge_calc.Get_DopentDensityDeriv(chem_pot.mat[i, j]);
dopent_density_deriv.Spin_Up.mat[i, j] = 0.5 * local_dopent_density_deriv;
dopent_density_deriv.Spin_Down.mat[i, j] = 0.5 * local_dopent_density_deriv;
}
else
{
dopent_density_deriv.Spin_Up.mat[i, j] = 0.0;
dopent_density_deriv.Spin_Down.mat[i, j] = 0.0;
}
carrier_density_deriv.Spin_Up.mat[i, j] = 0.5 * charge_calc.Get_CarrierDensityDeriv(chem_pot.mat[i, j]);
carrier_density_deriv.Spin_Down.mat[i, j] = 0.5 * charge_calc.Get_CarrierDensityDeriv(chem_pot.mat[i, j]);
}
return carrier_density_deriv + dopent_density_deriv;
}
public override void Get_ChargeDensity(ILayer[] layers, ref SpinResolved_Data density, Band_Data chem_pot)
{
for (int i = 0; i < nx; i++)
for (int j = 0; j < ny; j++)
{
// do not add anything to the density if on the edge of the domain
if (i == 0 || i == nx - 1 || j == 0 || j == ny - 1)
continue;
double x = dx * i + xmin;
double y = dy * j + ymin;
// get the relevant layer
ILayer current_Layer = Solver_Bases.Geometry.Geom_Tool.GetLayer(layers, plane, x, y, pos_z);
// calculate the density at the given point
ZeroD_Density charge_calc = new ZeroD_Density(current_Layer, temperature);
double local_charge_density = charge_calc.Get_CarrierDensity(chem_pot.mat[i, j]);
// as there is no spin dependence in this problem yet, just divide the charge into spin-up and spin-down components equally
density.Spin_Down.mat[i, j] = 0.5 * local_charge_density;
density.Spin_Up.mat[i, j] = 0.5 * local_charge_density;
}
}