EasySpin forum

Hello. I would like to calculate magnetization with CURRY for various orientations of the magnetic field. From the documentation, I guess I need to use Exp.SampleFrame command. So I generated simple loop for three different Euler angles Temp=2; %K Field=500; %mT npoints=10; %number of point for PI s...

Hello,

Recently, I have measured X-band EPR spectra of iron oxide superparamagnetic nanoparticles above blocking temperature.
Is it possible to use EasySpin to analyze such spectra?

Thank you very much for any hint

Radovan

Hello I would like to fit isotropic exchange in trinuclear system, defined as Sys.S = [3/2 3/2 3/2]; Sys.J = [J12 J13 J23]; and the question is whether it is possible to restrict J13=J23 relationship in ESFIT? If yes, I would have only two varying parameters, J12 and J13 (J23=J13)... Thank you for y...

Hello I am dealing with polynuclear Co complex, and I have at my disposal results from CASSCF/NEVPT2 calculations in ORCA 5.0 for each Co(II) ion. Now, I would like to import/load, D-tensors and g-tensors from the outputs and evaluate impact of isotropic exchange among spin centers. For g-tensors, O...

Hello I am using Easyspin 5.2.35. I would like to fit temperature and field-dependent data with CURRY. However, my field-dependent data are not measured at the same fields for given temperatures. To better explain, I do NOT have the data set as it is expected T(K) Magnetization B(mT) 2 value 1000 2 ...

The Hamiltonian for V(IV)-Co(II) system should be H = J(S1 S2)+ lsoc(S2 L2)+mB B (gS1+gS2-L2) where 1=V, 2=Co and there is the isotropic exchange between spins, spin-orbit coupling between S2 and L2 and Zeeman term. Next level is to include also CF terms for L2. Similar system can be operable also f...

The Hamiltonian should be e.g. for V(IV)-Co(II) system, where V(IV) has S=1/2 and L=0, octahedral Co(II) is described by Griffith-Figgis Hamiltonian, S=3/2 and L=1. However, when one L is zero, muMB is negative, as posted before. If I change system to Co(II)-Co(II) like this clear, clc, clf; close a...

Dear Stefan thank you very much for the updates. However, I guess I have found some bug regarding the calculation of magnetic moment - muBM for dimer with L. Here is input: clear, clc, clf; close all; cm = 100*clight/1e6; % Conversion constant from cm-1 to MHz %Co-V Sys.S = [3/2 1/2]; Sys.L = [1 0];...

Hello I have found a discrepancy in meff for Yb3+ ion. cm = 100*clight/1e6; % Conversion constant from cm-1 to MHz %Yb3+ LS Sys.S = [1/2]; Sys.L = [3]; Sys.orf = [1.0]; Sys.soc = [2910]*cm; Sys.g = [2.0023]; Sys.CF2 = cm*[0 0 0 0 0]; Opt.Output = 'mueff'; Opt.Units = 'SI'; Exp.Temperature = 300; Exp...