Simulation of Cr3+ spectra

[Vijay]

I am unable to simulate the EPR spectra, even i have got all the values required from the papers.
I an new to EasySpin and have tried to use ginger and pepper also confused of all different examples

Can any one give some basic code, i just want to check line broadening and my Cr3+ spectra which has 5 peaks and quite similar to the spectra found in the below reference

DOI: 10.1007/BF00419139

Thankyou
Vijay

[Stefan Stoll]

Vijay, if you go to easyspin.org -> Documentation -> Examples, you'll find some sample scripts that should help you get started.

[Vijay]

Hi Stefan

I tried harder and able to generate the spectra but not able to give the perfect strain so that i can match the intensities and broadening of the spectrum,

As given in documentation i can change either g/A strain or D/E strain

The problem is by giving any strain i am able to change the intensities but at the same time I am getting the broadening of peaks which i don't want.

I did doping studies and with the increase of doping i am seeing there is a peak broadening (PP width) and i want to reflect that in terms of strain.

You can have a look of my coding and Experimental spectra

Thankyou


clear, clf, clc
Sys.S = 3/2;
Sys.g = [1.97];
Sys.Nucs = '53Cr';
Sys.A = 45;
Sys.D = [16500 8100]; % [ D E ]
%Sys.lwpp = 2; % Gaussian broadening PP
Sys.lw = 3; % Gaussian broadening FWHM
%Sys.HStrain = [500 0 0]; % [along x, along y, along z], in MHz
% g and A strains are given in similar fields:
%Sys.gStrain = [0.0];
%Sys.AStrain = [0 0 0];
Sys.DStrain = [1000 500]; % [ D E ]
%Exp.Temperature = 303;
Exp.Range = [10 550]; % in mT
Exp.mwFreq = 9.5;
pepper(Sys,Exp);

[Stefan Stoll]

Hvae you tried to use HStrain?