TBTK
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Magnetism

Hamiltonian

\(H = -\mu\sum_{\mathbf{i}\sigma}c_{\mathbf{i}\sigma}^{\dagger}c_{\mathbf{i}\sigma} + t\sum_{\langle\mathbf{i}\mathbf{j}\rangle\sigma}c_{\mathbf{i}\sigma}^{\dagger}c_{\mathbf{j}\sigma} + J\sum_{\mathbf{i}\sigma}\left(\sigma_z\right)_{\sigma\sigma}c_{\mathbf{i}\sigma}^{\dagger}c_{\mathbf{i}\sigma}\)

Code

#include "TBTK/PropertyExtractor/Diagonalizer.h"
#include "TBTK/Range.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);
//Callback that allows for the Zeeman term (J) to be updated after the Model
//has been set up.
class JCallback : public HoppingAmplitude::AmplitudeCallback{
public:
//Function that returns the HoppingAmplitude value for the given
//Indices. The to- and from-Indices are identical in this example.
complex<double> getHoppingAmplitude(
const Index &to,
const Index &from
) const{
Subindex spin = from[2];
return J*(1 - 2*spin);
}
//Set the value for J.
void setJ(double J){
this->J = J;
}
private:
double J;
};
int main(){
//Initialize TBTK.
//Parameters.
const unsigned int SIZE_X = 11;
const unsigned int SIZE_Y = 11;
const double t = -1;
const double mu = 0;
//Create a callback that returns the Zeeman term and that will be used
//as input to the Model.
JCallback jCallback;
//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 spin = 0; spin < 2; spin++){
model << HoppingAmplitude(
jCallback,
{x, y, spin},
{x, y, spin}
);
if(x+1 < SIZE_X){
model << HoppingAmplitude(
t,
{x+1, y, spin},
{x, y, spin}
) + HC;
}
if(y+1 < SIZE_Y){
model << HoppingAmplitude(
t,
{x, y+1, spin},
{x, y, spin}
) + HC;
}
}
}
}
model.construct();
//Number of iterations.
const unsigned int NUM_ITERATIONS = 10;
//Array to store the z-component of the magnetization in.
Array<double> magnetizationZ({NUM_ITERATIONS});
//Iterate over 100 values for J.
Range j(0, 5, NUM_ITERATIONS);
for(unsigned int n = 0; n < NUM_ITERATIONS; n++){
//Update the callback with the current value of J.
jCallback.setJ(j[n]);
//Set up the Solver.
solver.setModel(model);
solver.run();
//Set up the PropertyExtractor.
const double LOWER_BOUND = -8;
const double UPPER_BOUND = 8;
const unsigned int RESOLUTION = 1000;
PropertyExtractor::Diagonalizer propertyExtractor(solver);
propertyExtractor.setEnergyWindow(
LOWER_BOUND,
UPPER_BOUND,
RESOLUTION
);
//Calculate the Magnetization.
= propertyExtractor.calculateMagnetization(
{{SIZE_X/2, SIZE_Y/2, IDX_SPIN}}
);
//Project the magnetization on the z-axis and store the value
//in magnetizationZ.
magnetizationZ[{n}] = Vector3d::dotProduct(
magnetization({
SIZE_X/2,
SIZE_Y/2,
IDX_SPIN
}).getSpinVector(),
{0, 0, 1}
);
//If J has its middle value, Calculate and plot the density of
//states (DOS).
if(n == NUM_ITERATIONS/2){
//Calculate the DOS.
Property::DOS dos = propertyExtractor.calculateDOS();
//Calculate the DOS for spin up and down separately by
//summing the LDOS over all lattice sites.
Property::LDOS ldos = propertyExtractor.calculateLDOS(
{{IDX_SUM_ALL, IDX_SUM_ALL, _a_}}
);
//Smooth the DOS.
const double SMOOTHING_SIGMA = 0.2;
const unsigned int SMOOTHING_WINDOW = 101;
dos = Smooth::gaussian(
dos,
SMOOTHING_SIGMA,
SMOOTHING_WINDOW
);
//Smooth the LDOS.
ldos = Smooth::gaussian(
ldos,
SMOOTHING_SIGMA,
SMOOTHING_WINDOW
);
//Plot the DOS.
Plotter plotter;
plotter.setTitle("DOS");
plotter.setLabelX("Energy");
plotter.setLabelY("DOS");
plotter.plot(dos, {{"label", "Total"}});
//Plot the LDOS.
plotter.plot(
{IDX_SUM_ALL, IDX_SUM_ALL, 0},
ldos,
{
{"color", "red"},
{"linestyle", "--"},
{"label", "Spin up"}
}
);
plotter.plot(
{IDX_SUM_ALL, IDX_SUM_ALL, 1},
ldos,
{
{"color", "blue"},
{"linestyle", "--"},
{"label", "Spin down"}
}
);
//Save the plot.
plotter.save("figures/DOS.png");
}
}
//Plot the Magnetization along the z-axis.
Plotter plotter;
plotter.setTitle("Magnetization along the z-axis");
plotter.setLabelX("J");
plotter.setLabelY("Magnetization");
plotter.setAxes({
{0, {0, 5}}
});
plotter.plot(magnetizationZ);
plotter.save("figures/Magnetization.png");
}

Output

Plotter.h
Plots data.
TBTK::Array< double >
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::HoppingAmplitude::AmplitudeCallback
Definition: HoppingAmplitude.h:57
TBTK::Range
One-dimensional range.
Definition: Range.h:52
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::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
Range.h
Helper class for flattening nested looping.
DOS.h
Property container for density of states (DOS).
TBTK::HoppingAmplitude
Hopping amplitude from state 'from' to state 'to'.
Definition: HoppingAmplitude.h:53
TBTK::Subindex
An entry in an Index.
Definition: Subindex.h:91
TBTK::Index
Physical index.
Definition: Index.h:44
TBTK.h
TBTK initialization.
Smooth.h
Collection of functions for smoothing data.
TBTK::Model::construct
void construct()
TBTK::Property::Magnetization
Property container for magnetization.
Definition: Magnetization.h:44