TBTK
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ArnoldiIterator

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/ArnoldiIterator.h"
#include "TBTK/Smooth.h"
#include "TBTK/Solver/ArnoldiIterator.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 = 15;
const unsigned int SIZE_Y = 15;
const double t = -1;
const double mu = -4;
//Set up the Model.
Model model;
for(unsigned int x = 0; x < SIZE_X; x++){
for(unsigned int y = 0; y < SIZE_Y; y++){
if(x+1 < SIZE_X){
model << HoppingAmplitude(
t,
{x+1, y},
{x, y}
) + HC;
}
if(y+1 < SIZE_Y){
model << HoppingAmplitude(
t,
{x, y+1},
{x, y}
) + HC;
}
}
}
model.construct();
//Set up the Solver. The central value is perturbed slightly from -4
//to avoid division by zero because the model has an eigenstate exactly
//at E=-4.
const unsigned int NUM_EIGEN_VALUES = 100;
const unsigned int NUM_LANCZOS_VECTORS = 200;
const unsigned int MAX_ITERATIONS = 400;
solver.setModel(model);
solver.setMode(Solver::ArnoldiIterator::Mode::ShiftAndInvert);
solver.setCentralValue(-4 - 1e-6);
solver.setNumEigenValues(NUM_EIGEN_VALUES);
solver.setNumLanczosVectors(NUM_LANCZOS_VECTORS);
solver.setMaxIterations(MAX_ITERATIONS);
solver.run();
//Set up the PropertyExtractor.
const double LOWER_BOUND = -4.02;
const double UPPER_BOUND = -3.8;
const unsigned int RESOLUTION = 1000;
PropertyExtractor::ArnoldiIterator propertyExtractor(solver);
propertyExtractor.setEnergyWindow(
LOWER_BOUND,
UPPER_BOUND,
RESOLUTION
);
//Calculate eigenvalues.
Property::EigenValues eigenValues = propertyExtractor.getEigenValues();
//Plot eigenvalues.
Plotter plotter;
plotter.plot(eigenValues);
plotter.save("figures/EigenValues.png");
//Calculate the density of states (DOS).
Property::DOS dos = propertyExtractor.calculateDOS();
//Smooth the DOS.
const double SMOOTHING_SIGMA = 0.001;
const unsigned int SMOOTHING_WINDOW = 201;
dos = Smooth::gaussian(dos, SMOOTHING_SIGMA, SMOOTHING_WINDOW);
//Plot the DOS.
plotter.clear();
plotter.plot(dos);
plotter.save("figures/DOS.png");
//Calculate the local density of states (LDOS).
Property::LDOS ldos = propertyExtractor.calculateLDOS({
{_a_, _a_}
});
ldos = Smooth::gaussian(ldos, SMOOTHING_SIGMA, SMOOTHING_WINDOW);
//Plot the LDOS.
plotter.clear();
plotter.setNumContours(100);
plotter.plot({_a_, SIZE_Y/2}, ldos);
plotter.save("figures/LDOS.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::ArnoldiIterator::setMaxIterations
void setMaxIterations(int maxIterations)
Definition: ArnoldiIterator.h:299
TBTK::Solver::ArnoldiIterator::setMode
void setMode(Mode mode)
Definition: ArnoldiIterator.h:263
TBTK::Solver::ArnoldiIterator::run
void run()
TBTK::Solver::ArnoldiIterator
Solves a Model using Arnoldi iteration.
Definition: ArnoldiIterator.h:60
TBTK::Property::LDOS
Property container for the local density of states (LDOS).
Definition: LDOS.h:48
TBTK::Model::setChemicalPotential
void setChemicalPotential(double chemicalPotential)
Definition: Model.h:347
TBTK::Initialize
void Initialize()
TBTK::Solver::Solver::setModel
virtual void setModel(Model &model)
Definition: Solver.h:69
TBTK::Solver::ArnoldiIterator::setCentralValue
void setCentralValue(double centralValue)
Definition: ArnoldiIterator.h:303
TBTK::Solver::ArnoldiIterator::setCalculateEigenVectors
void setCalculateEigenVectors(bool calculateEigenVectors)
Definition: ArnoldiIterator.h:279
TBTK::Solver::ArnoldiIterator::setNumLanczosVectors
void setNumLanczosVectors(int numLanczosVectors)
Definition: ArnoldiIterator.h:287
DOS.h
Property container for density of states (DOS).
TBTK::HoppingAmplitude
Hopping amplitude from state 'from' to state 'to'.
Definition: HoppingAmplitude.h:53
TBTK::Solver::ArnoldiIterator::setNumEigenValues
void setNumEigenValues(int numEigenValues)
Definition: ArnoldiIterator.h:271
TBTK::PropertyExtractor::ArnoldiIterator
Extracts physical properties from the Solver::ArnoldiIterator.
Definition: ArnoldiIterator.h:53
TBTK.h
TBTK initialization.
Smooth.h
Collection of functions for smoothing data.
TBTK::Property::EigenValues
Property container for eigen values.
Definition: EigenValues.h:46
TBTK::Model::construct
void construct()