TBTK Need a break? Support the development by playing Polarity Puzzles
3D cubic lattice

# Hamiltonian

$$H = -\mu\sum_{\mathbf{i}}c_{\mathbf{i}}^{\dagger}c_{\mathbf{i}} + t\sum_{\langle \mathbf{i}\mathbf{j}\rangle}c_{\mathbf{i}}^{\dagger}c_{\mathbf{j}}$$

# Code

#include "TBTK/PropertyExtractor/Diagonalizer.h"
#include "TBTK/Smooth.h"
#include "TBTK/TBTK.h"
#include <complex>
using namespace std;
using namespace TBTK;
using namespace Visualization::MatPlotLib;
complex<double> i(0, 1);
int main(){
//Initialize TBTK.
//Parameters.
const unsigned int SIZE_X = 7;
const unsigned int SIZE_Y = 7;
const unsigned int SIZE_Z = 7;
const double t = -1;
const double mu = -3;
//Set up the Model.
Model model;
for(unsigned int x = 0; x < SIZE_X; x++){
for(unsigned int y = 0; y < SIZE_Y; y++){
for(unsigned int z = 0; z < SIZE_Z; z++){
if(x+1 < SIZE_X){
model << HoppingAmplitude(
t,
{x+1, y, z},
{x, y, z}
) + HC;
}
if(y+1 < SIZE_Y){
model << HoppingAmplitude(
t,
{x, y+1, z},
{x, y, z}
) + HC;
}
if(z+1 < SIZE_Z){
model << HoppingAmplitude(
t,
{x, y, z+1},
{x, y, z}
) + HC;
}
}
}
}
model.construct();
//Set up the Solver.
solver.setModel(model);
solver.run();
//Set up the PropertyExtractor.
const double LOWER_BOUND = -10;
const double UPPER_BOUND = 10;
const unsigned int RESOLUTION = 1000;
PropertyExtractor::Diagonalizer propertyExtractor(solver);
propertyExtractor.setEnergyWindow(
LOWER_BOUND,
UPPER_BOUND,
RESOLUTION
);
//Calculate the density of states (DOS).
Property::DOS dos = propertyExtractor.calculateDOS();
//Smooth the DOS.
const double SMOOTHING_SIGMA = 0.2;
const unsigned int SMOOTHING_WINDOW = 101;
dos = Smooth::gaussian(dos, SMOOTHING_SIGMA, SMOOTHING_WINDOW);
//Plot the DOS.
Plotter plotter;
plotter.plot(dos);
plotter.save("figures/DOS.png");
//Calculate the wave functions.
= propertyExtractor.calculateWaveFunctions(
{{_a_, _a_, _a_}},
{_a_}
);
//Plot the wave function for state 37.
plotter.clear();
plotter.plot({_a_, _a_, SIZE_Z/2}, 10, waveFunctions);
plotter.save("figures/WaveFunction.png");
}

# Output

Plotter.h
Plots data.
TBTK::Model
Container of Model related information.
Definition: Model.h:57
TBTK::Property::DOS
Property container for density of states (DOS).
Definition: DOS.h:48
TBTK::Solver::Diagonalizer
Solves a Model using diagonalization.
Definition: Diagonalizer.h:52
TBTK::Model::setChemicalPotential
void setChemicalPotential(double chemicalPotential)
Definition: Model.h:347
TBTK::PropertyExtractor::Diagonalizer
Extracts physical properties from the Solver::Diagonalizer.
Definition: Diagonalizer.h:55
TBTK::Solver::Diagonalizer::run
void run()
Diagonalizer.h
Solves a Model using diagonalization.
TBTK::Initialize
void Initialize()
TBTK::Solver::Solver::setModel
virtual void setModel(Model &model)
Definition: Solver.h:69
DOS.h
Property container for density of states (DOS).
TBTK::HoppingAmplitude
Hopping amplitude from state 'from' to state 'to'.
Definition: HoppingAmplitude.h:53
TBTK.h
TBTK initialization.
Smooth.h
Collection of functions for smoothing data.
TBTK::Model::construct
void construct()
TBTK::Property::WaveFunctions
Property container for wave function.
Definition: WaveFunctions.h:45