public void SolveAC(double appliedVoltage, double dV, double freq, double T)
{
BracketAC(appliedVoltage, dV, freq, T, out double hi, out double lo);
double tol = Tolerance;
double x0 = CalcX0();
double V = BuiltInVoltage + appliedVoltage + dV;
while (Math.Abs(PhiAC[NumPointsPosition - 1] / Consts.ElementaryCharge - V) > tol)
{
PhiAC[0] = 0.5 * (hi + lo);
PhiAC[1] = PhiAC[0] * Math.Exp(PositionSpacing / x0);
RhoAC[0] = RhoTable.GetRho(FermiAC[0] - PhiAC[0], 0);
RhoAC[1] = RhoTable.GetRho(FermiAC[1] - PhiAC[1], 1);
CalculateProfileAC(0, freq, T);
if (PhiAC[NumPointsPosition - 1] / Consts.ElementaryCharge > V)
{
hi = PhiAC[0];
}
else
{
lo = PhiAC[0];
}
}
}
private void CalculateProfileDC(int startIndex)
{
TotalChargeDC = 0;
for (int i = startIndex + 1; i < NumPointsPosition - 1; i++)
{
PhiDC[i + 1] = 2 * PhiDC[i] - PhiDC[i - 1]
+ PositionSpacing * PositionSpacing
* Consts.ElementaryCharge * RhoDC[i] / DielectricConstant;
FermiDC[i + 1] = FermiLevel;
//if (PhiDC[i + 1] - FermiDC[i + 1] > BandGap / 2)
//{
// FermiDC[i + 1] = PhiDC[i + 1] - BandGap / 2;
//}
RhoDC[i + 1] = RhoTable.GetRho(FermiDC[i + 1] - PhiDC[i + 1], i + 1);
PhiDC[i + 1] = NoumerovStep(
PhiDC[i], PhiDC[i - 1],
Consts.ElementaryCharge * RhoDC[i + 1] / DielectricConstant,
Consts.ElementaryCharge * RhoDC[i] / DielectricConstant,
Consts.ElementaryCharge * RhoDC[i - 1] / DielectricConstant,
PositionSpacing);
TotalChargeDC += 0.5 * (RhoDC[i] + RhoDC[i - 1]) * PositionSpacing;
}
}
public Device(
double bandGap,
double fermiLevel,
double thickness,
double builtInVoltage,
double dielectricConstant,
double thermalEmissionPrefactor,
List <Defect> defects,
int numPointsPosition,
int numPointsEnergy,
double tolerance)
{
BandGap = bandGap;
FermiLevel = fermiLevel;
Thickness = thickness;
BuiltInVoltage = builtInVoltage;
DielectricConstant = dielectricConstant;
ThermalEmissionPrefactor = thermalEmissionPrefactor;
Defects = defects;
NumPointsPosition = numPointsPosition;
NumPointsEnergy = numPointsEnergy;
Tolerance = tolerance;
EnergySpacing = 2 * BandGap / NumPointsEnergy;
PositionSpacing = Thickness / NumPointsPosition;
FermiDC = new double[NumPointsPosition];
PhiDC = new double[NumPointsPosition];
RhoDC = new double[NumPointsPosition];
FermiAC = new double[NumPointsPosition];
PhiAC = new double[NumPointsPosition];
RhoAC = new double[NumPointsPosition];
for (int i = 0; i < NumPointsPosition; i++)
{
FermiDC[i] = FermiLevel;
FermiAC[i] = FermiLevel;
}
DensityOfStates = new DensityOfStates(this);
RhoTable = new RhoTable(this);
}
private void CalculateProfileAC(int startIndex, double freq, double T)
{
double Ee = CalcEe(freq, T);
TotalChargeAC = 0;
for (int i = startIndex + 1; i < NumPointsPosition - 1; i++)
{
PhiAC[i + 1] = 2 * PhiAC[i] - PhiAC[i - 1]
+ PositionSpacing * PositionSpacing * Consts.ElementaryCharge * RhoAC[i] / DielectricConstant;
FermiAC[i + 1] = FermiLevel;
//if (PhiAC[i + 1] - FermiAC[i + 1] > BandGap / 2)
//{
// FermiAC[i + 1] = PhiAC[i + 1] - BandGap / 2;
//}
if (PhiAC[i + 1] < FermiAC[i + 1] + Ee)
{
RhoAC[i + 1] = RhoTable.GetRho(FermiAC[i + 1] - PhiAC[i + 1], i + 1);
}
else if (PhiDC[i + 1] < FermiAC[i + 1] + Ee)
{
RhoAC[i + 1] = RhoTable.GetRho(-Ee, i + 1);
}
else
{
RhoAC[i + 1] = RhoDC[i + 1];
}
PhiAC[i + 1] = NoumerovStep(
PhiAC[i], PhiAC[i - 1],
Consts.ElementaryCharge * RhoAC[i + 1] / DielectricConstant,
Consts.ElementaryCharge * RhoAC[i] / DielectricConstant,
Consts.ElementaryCharge * RhoAC[i - 1] / DielectricConstant,
PositionSpacing);
TotalChargeAC += 0.5 * (RhoAC[i] + RhoAC[i - 1]) * PositionSpacing;
}
}
private void BracketAC(double appliedVoltage, double dV, double freq, double T, out double hi, out double lo)
{
double x0 = CalcX0();
double V = BuiltInVoltage + appliedVoltage + dV;
int numPoints = NumPointsPosition;
PhiAC[0] = Consts.ElementaryCharge * V * Math.Exp(-Thickness / x0);
PhiAC[1] = PhiAC[0] * Math.Exp(PositionSpacing / x0);
RhoAC[0] = RhoTable.GetRho(FermiAC[0] - PhiAC[0], 0);
RhoAC[1] = RhoTable.GetRho(FermiAC[1] - PhiAC[1], 1);
CalculateProfileAC(0, freq, T);
hi = 0;
lo = 0;
if (PhiAC[numPoints - 1] / Consts.ElementaryCharge < V)
{
while (PhiAC[numPoints - 1] / Consts.ElementaryCharge < V)
{
lo = PhiAC[0];
PhiAC[0] = 2 * PhiAC[0];
PhiAC[1] = PhiAC[0] * Math.Exp(PositionSpacing / x0);
RhoAC[0] = RhoTable.GetRho(FermiAC[0] - PhiAC[0], 0);
RhoAC[1] = RhoTable.GetRho(FermiAC[1] - PhiAC[1], 1);
CalculateProfileAC(0, freq, T);
}
hi = 2 * PhiAC[0];
}
else
{
while (PhiAC[numPoints - 1] / Consts.ElementaryCharge > V)
{
hi = PhiAC[0];
PhiAC[0] = 0.5 * PhiAC[0];
PhiAC[1] = PhiAC[0] * Math.Exp(PositionSpacing / x0);
RhoAC[0] = RhoTable.GetRho(FermiAC[0] - PhiAC[0], 0);
RhoAC[1] = RhoTable.GetRho(FermiAC[1] - PhiAC[1], 1);
CalculateProfileAC(0, freq, T);
}
lo = PhiAC[0];
}
}