ALPS 2.1 Tutorials:MC-03 Magnetization

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Magnetization curves of quantum spin models

In this tutorial we will look at magnetization curves of quantum spin models using the directed loop SSE application instead of loop, since loop does not perform well in a magnetic field.

One-dimensional Heisenberg chain in a magnetic field

Preparing and running the simulation from the command line

The parameter file parm3a sets up Monte Carlo simulations of the quantum mechanical S=1/2 Heisenberg model on a one-dimensional chain with 20 sites at fixed temperature T=0.08 for a couple of magnetic fields (h=0, 0.1, ..., 2.5).

LATTICE="chain lattice" 
MODEL   = "spin"
local_S=1/2
L=20
J=1
T=0.08
THERMALIZATION=2000
SWEEPS=10000
{h=0;}
{h=0.1;}
{h=0.2;}
{h=0.3;}
{h=0.4;}
{h=0.5;}
{h=0.6;}
{h=0.7;}
{h=0.8;}
{h=0.9;}
{h=1.0;}
{h=1.2;}
{h=1.4;}
{h=1.6;}
{h=1.8;}
{h=2.0;}
{h=2.2;}
{h=2.4;}
{h=2.5;}

Using the following standard sequence of commands you can run the simulation using the quantum SSE code and look at the XML out files in a web browser

parameter2xml parm3a
dirloop_sse --Tmin 10 --write-xml parm3a.in.xml

Preparing and running the simulation using Python

To set up and run the simulation in Python we use the script tutorial3a.py. The first parts of this script imports the required modules and then prepares the input files as a list of Python dictionaries:

import pyalps
import matplotlib.pyplot as plt
import pyalps.plot
parms = []
for h in [0., 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.2, 1.4, 1.6, 1.8, 2.0, 2.2, 2.4, 2.5]:
   parms.append(
       { 
         'LATTICE'        : "chain lattice", 
         'MODEL'          : "spin",
         'local_S'        : 0.5,
         'T'              : 0.08,
         'J'              : 1 ,
         'THERMALIZATION' : 1000,
         'SWEEPS'         : 20000,
         'L'              : 20,
         'h'              : h
       }
   )

To run this, launch your python interpreter using the convenience scripts alpspython or vispython.

We next convert this into a job file in XML format and run the dirloop_sse simulation:

input_file = pyalps.writeInputFiles('parm3a',parms)
res = pyalps.runApplication('dirloop_sse',input_file,Tmin=5)

We now have the same output files as in the command line version.

Evaluating the simulation and preparing plots using Python

To load the results and prepare plots we load the results from the output files and collect the magntization density as a function of magnetic field from all output files starting with parm3a. The script is again in tutorial3a.py

data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm3a'),'Magnetization Density')
magnetization = pyalps.collectXY(data,x='h',y='Magnetization Density')


To make plots we call the pyalps.pyplot.plot and then set some nice labels, a title, and a range of y-values:

plt.figure()
pyalps.plot.plot(magnetization)
plt.xlabel('Field $h$')
plt.ylabel('Magnetization $m$')
plt.ylim(0.0,0.5)
plt.title('Quantum Heisenberg chain')
plt.show()

Setting up and running the simulation in Vistrails

To run the simulation in Vistrails open the file mc-03-magnetization.vt and look at the workflow labeled "Quantum Heisenberg chain". Click on "Execute" to prepare the input file, run the simulation and create the output figure.

One-dimensional Heisenberg ladder in a magnetic field

The parameter file parm3b sets up Monte Carlo simulations of the quantum mechanical S=1/2 Heisenberg model on a one-dimensional ladder with 40 sites at fixed temperature T=0.08 for a couple of magnetic fields (h=0, 0.1, ..., 3.5).

LATTICE="ladder" 
MODEL   = "spin"
LATTICE_LIBRARY="../lattices.xml" 
MODEL_LIBRARY="../models.xml"
local_S=1/2
L=20
J0=1
J1=1
T=0.08
...

The rest of the input file is as above and simulations are run in the same way.

To set up and run the simulation in Python we use the script tutorial3b.py. The changes are again just

  • renaming parm3a into parm3b
  • changing the parameter LATTICE to ladder
  • setting two couplings J0 and J1

To run the simulation in Vistrails open the file mc-03-magnetization.vt and execute the workflow labeled "Quantum Heisenberg ladder".

Combining all simulations

To combine all results into one plot after running both simulations look at the Python script tutorial3full.py or the Vistrails workflow called "all combined". Here is the combined plot:

vt_id:4 version:98

Questions

  • How does the magnetization depend on the magnetic field?
  • How does the magnetization depend on the lattice?
  • Bonus: You can also study a 3-leg, 4-leg ladder by changing the parameter W for the width or a spin-1, spin-3/2 chain by changing the parameter local_S. Is there a systematic behavior?