Single Molecule Magnets(SMM)!!!

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mayusmeena
Newbie
Posts: 1
Joined: Sat Jun 22, 2019 2:22 pm

Single Molecule Magnets(SMM)!!!

Post by 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
EasySpin Creator
Posts: 1100
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Single Molecule Magnets(SMM)!!!

Post by 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
Local Expert
Posts: 252
Joined: Thu Jan 21, 2016 6:28 am
Location: Strasbourg

Re: Single Molecule Magnets(SMM)!!!

Post by 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
Local Expert
Posts: 252
Joined: Thu Jan 21, 2016 6:28 am
Location: Strasbourg

Re: Single Molecule Magnets(SMM)!!!

Post by 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.
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