public ThreeD_PoissonSolver(Experiment exp, bool using_external_code, Dictionary<string, object> input)
: base(using_external_code, input)
{
this.exp = exp;
// check if the top layer is air... if so, we need to use natural boundary conditions on the upper surface (this is almost always going to be the case in 3D)
natural_topbc = (exp.Layers[exp.Layers.Length - 1].Material == Material.Air);
// calculate scaling factors (x is used as the reference dimension)
// w = a_y * y such that the y dimension has the same length as the x dimension
y_scaling = (exp.Nx_Pot * exp.Dx_Pot) / (exp.Ny_Pot * exp.Dy_Pot);
// w = a_z * z such that the z dimension has the same length as the x dimension
z_scaling = (exp.Nx_Pot * exp.Dx_Pot) / (exp.Nz_Pot * exp.Dz_Pot);
}
static void Main(string[] args)
{
// set nmath license key
CenterSpace.NMath.Core.NMathConfiguration.LicenseKey = License.NMath_License_Key;
Console.WriteLine("Program starting");
Console.WriteLine("Loading input parameters from file");
Dictionary<string, object> inputs = new Dictionary<string, object>();
Inputs_to_Dictionary.Add_Input_Parameters_to_Dictionary(ref inputs, "Input_Parameters.txt");
Inputs_to_Dictionary.Add_Input_Parameters_to_Dictionary(ref inputs, "Solver_Config.txt");
Console.WriteLine("Input parameters loaded");
// read in the value of vsg to be used
Console.WriteLine("Enter split gate voltage");
inputs["split_V"] = double.Parse(Console.ReadLine());
Console.WriteLine("Setting \"split_V\" to " + ((double)inputs["split_V"]).ToString() + "V");
// check to make sure it's negative
if ((double)inputs["split_V"] > 0)
{
Console.WriteLine("\"split_V\" has been set positive at " + ((double)inputs["split_V"]).ToString() + "V. Are you sure you want to do this?");
Console.ReadKey();
}
// temporarily, just set the output suffix to something boring
inputs.Add("output_suffix", ".dat");
// initialise the band structure experiment
Experiment exp = new Experiment();
OneD_ThomasFermiPoisson.Experiment exp_init = new OneD_ThomasFermiPoisson.Experiment();
Console.WriteLine("Performing density dopent calculation");
Dictionary<string, object> inputs_init = new Dictionary<string, object>();
inputs_init = inputs.Where(s => s.Key.ToLower().EndsWith("_1d")).ToDictionary(dict => dict.Key.Remove(dict.Key.Length - 3), dict => dict.Value);
inputs_init.Add("BandStructure_File", inputs["BandStructure_File"]);
inputs_init.Add("T", inputs["T"]);
inputs_init.Add("output_suffix", "_1d.dat");
exp_init.Initialise(inputs_init);
exp_init.Run();
inputs.Add("SpinResolved_Density", exp_init.Carrier_Density);
inputs.Add("Dopent_Density", exp_init.Dopent_Density);
inputs.Add("Chemical_Potential", exp_init.Chemical_Potential);
inputs.Add("nz_pot_1d", inputs_init["nz"]);
inputs.Add("zmin_pot_1d", inputs_init["zmin"]);
inputs.Add("zmax_pot_1d", inputs_init["zmax"]);
// get the frozen out surface charge at 70K
if (!inputs.ContainsKey("surface_charge")) inputs.Add("surface_charge", exp_init.Surface_Charge(70.0));
else Console.WriteLine("Surface charge set from Input_Parameters.txt to " + ((double)inputs["surface_charge"]).ToString());
Console.WriteLine("Calculated 1D density for dopents");
// this is a scaled version for the dopents!
double y_scaling = ((double)inputs["nx"] * (double)inputs["dx"]) / ((double)inputs["ny"] * (double)inputs["dy"]);
double z_scaling = ((double)inputs["nx"] * (double)inputs["dx"]) / ((double)inputs["nz"] * (double)inputs["dz"]);
// extract the dopent layer (leaving the top and bottom set to zero)
int dopent_min = -1;
int dopent_max = -2;
ILayer dopent_layer = exp_init.Layers[0];
for (int i = 0; i < exp_init.Layers.Length; i++)
if (exp_init.Layers[i].Donor_Conc != 0.0 || exp_init.Layers[i].Acceptor_Conc != 0)
{
dopent_layer = exp_init.Layers[i];
dopent_min = (int)Math.Round((dopent_layer.Zmin - Geom_Tool.Get_Zmin(exp_init.Layers)) / (int)(double)inputs_init["dz"]);
dopent_max = (int)Math.Round((dopent_layer.Zmax - Geom_Tool.Get_Zmin(exp_init.Layers)) / (int)(double)inputs_init["dz"]);
}
Band_Data tmp_dop_dens_1D = new Band_Data(dopent_max - dopent_min, 0.0);
for (int i = dopent_min + 1; i < dopent_max - 1; i++)
tmp_dop_dens_1D.vec[i - dopent_min] = exp_init.Dopent_Density.Spin_Summed_Data.vec[i];
// and expand into the correct data structure
Band_Data tmp_dop_dens = Input_Band_Structure.Expand_BandStructure(tmp_dop_dens_1D.vec, (int)(double)inputs["nx_1d"], (int)(double)inputs["ny_1d"]);
tmp_dop_dens.Save_3D_Data("dens_3D_dopents.dat", (double)inputs["dx"] * ((double)inputs["nx"] + 1.0) / ((double)inputs["nx_1d"] - 1.0), y_scaling * (double)inputs["dy"] * ((double)inputs["ny"] + 1.0) / ((double)inputs["ny_1d"] - 1.0), z_scaling * (double)inputs["dz_1d"], -1.0 * (double)inputs["dx"] * ((double)inputs["nx"] + 1.0) / 2.0, -1.0 * y_scaling * (double)inputs["dy"] * ((double)inputs["ny"] + 1.0) / 2.0, z_scaling * dopent_layer.Zmin);
Console.WriteLine("Saved 1D dopent density");
Console.WriteLine("Starting experiment");
exp.Initialise(inputs);
Console.WriteLine("Experiment initialised");
exp.Run();
Console.WriteLine("Experiment complete");
}
public ThreeD_dealII_Solver(Experiment exp, bool using_external_code, Dictionary<string, object> input)
: base(using_external_code, input)
{
this.exp = exp;
}
