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Transition probability of half field EPR signal

Posted: Wed May 10, 2023 8:55 am
by Sudipta Khamrui

Recently, I am working on a spin-3/2 sample. I have acquired a CW field sweep spectra at 12K. We expected a half field transition peak if it is spin-3/2 center. But, it did not give any half field signal.

Also, we know that if ZFS is small (D = 180 MHz and E = 58 MHz in our case), then the half field transition will be very weak. However, spectrum simulation should give the intensities and probabilities of all the deltaM transitions.

My question is how to get these transition probabilities and signal intensity in easy spin simulation. I am using the 'Pepper' package in my simulation.


Re: Transition probability of half field EPR signal

Posted: Wed May 10, 2023 11:10 am
by Stefan Stoll

The D and E values are very small. In this case, the half-field transition is going to be very weak - for your values, about 104 to 105 times weaker than the allowed transitions. Here is a simulation. If you zoom in around 160-170 mT, you'll find the half-field transition.

Code: Select all

clear, clc

Sys.S = 3/2;
Sys.D = [180 58];
Sys.lwpp = 1;

Exp.mwFreq = 9.5;
Exp.Range = [0 400];
pepper(Sys,Exp);