Single Molecule Magnets(SMM)!!!

[mayusmeena]

Can one simulate magnetization or hysteresis curves of SMM? These molecules are defined by a single giant spin(S=10), thus neglecting the coupling between electrons. Normal they have both transverse and longitudinal anisotropy. I tried to simulate Mn12Ac with curry but couldn't get any steps in magnetization. Here's my code:

CODE: SELECT ALL
clear, clc, clf

Sys.S = 10;
Sys.D = 0.65*20836.6176;
Sys.C = -0.06*20836.6176*1e-3;

Exp.Temperature = 0.05 ;
Exp.Field = linspace(-3,3,500)*1e3;

mu_z = curry(Sys,Exp);

plot(Exp.Field/1e3, mu_z/max(mu_z));

[Stefan Stoll]

What is `Sys.C`. I don't think this is supported by EasySpin.

Also, please send a link to a paper that shows the graph you want to obtain.

[thanasis]

The simulation of such experiments would require the inclusion of kinetic parameters (characteristic times of the various relaxation mechanisms that are operative) as well as experimental parameters (like magnetic field sweep rates).

It is not an unworkable problem, but it is not trivial either, to say the least.

[thanasis]

I think this might be close to what you are looking for : http://chiralqubit.eu/SMM-evaluator-tool

The paper describing the tool in more detail will be out soon (I will post the reference as soon as it is published), but you can already download it and test it.