zero field splitting

[sapphire]

Hello everyone,

I am trying to using EasySpin to simulate the zero field splitting, but it seems that the upper part of the left picture (red square) is not so clear and it's not splitting from the same point (green square). Another problem is when I try to select one splitting line it's not following the straight line but bent, it's the due to the the mix of different states or it's because my simulation is wrong? Is someone can help me to solve the problem? Thank you.

[Stefan Stoll]

For the left picture, please post a short script that generates the plot. It looks normal to me, probably a S=3/2 system with negative ZFS and an I=7/2 nucleus.

Regarding the right picture, all is normal too. EasySpin orders the energy levels according to increasing energy.

[sapphire]

Thank you,Stefan. Yes, you are right. The left picture is a S=3/2 system with an I=7/2 nucleus. The script is as below:

Sys.S=3/2;
Sys.g=1.991;
Sys.D=-4803.6;
Sys.A=-220.615;
Sys.B=-222.890;
Sys.Nucs='51V';
Ori=[0 0];
FieldRange = [0 1000];
levelsplot(Sys,Ori,FieldRange)

[Stefan Stoll]

The plot is correct. At zero field, the +-1/2 electron manifolds with the 7/2 nuclear spin will give two manifolds with total spin 7/2+1/2 = 4 and 7/2-1/2 = 3, respectively, leading to a set of 9 and and a set of 7 levels. At high field, the electron and nuclear spin are decoupled.

[sapphire]

Hello, Stefan, thanks for your kindly reply. Could you tell me except the examples inside the Easyspin is there any books I can reference so that I can find more details about this software. Thank you!

[Stefan Stoll]

http://easyspin.org/easyspin/documentat ... ences.html