Issue Balancing Line Width

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egztt
Newbie
Posts: 1
Joined: Thu Apr 17, 2025 11:47 am

Issue Balancing Line Width

Post by egztt »

Hello, I’m having trouble simulating this azurite spectrum.

I need the peaks on the left side to merge and form a broad band, but when I increase the Line Width, the lower peak on the right loses resolution, and instead of forming two small distinct peaks, they merge into one.

How could I create a broad band on the left while keeping the resolution on the right?

Below is the script I'm using:
% Import data
[B,spc] = textread('AzuriteFile.txt','%f %f');
% [B,spc] = textread('file name.txt','%f %f');
plot(B,spc);

% Simulation parameters
Exp.mwFreq = 9.5; % Microwave frequency (GHz)
Exp.Range = [min(B) max(B)]; % Magnetic field range (mT)
Exp.nPoints = numel(B); % Number of points in the spectrum

% Experimental parameters
Sys0.Nucs = 'Cu'; % Paramagnetic nucleus
Sys0.n = 1; % Number of nuclei
Sys0.g = [2.32 2.09 2.085]; % g-tensor values gz, gy, gx
Sys0.A = [510 20 15]; % Hyperfine coupling A (MHz)
Sys0.lwpp = 3.0; % Line width (MHz)

% EPR spectrum simulation
Vary.g = [0.05 0.05 0.05];
Vary.A = [0.1 0.1 0.1];
Vary.lwpp = 0.01;

esfit(spc,@pepper,{Sys0,Exp},{Vary});

Attachments
easyspinsimulation.png
easyspinsimulation.png (53.56 KiB) Viewed 845 times
imasen
Newbie
Posts: 8
Joined: Thu Mar 09, 2023 12:27 am

Re: Issue Balancing Line Width

Post by imasen »

You can try anisotropic broadening methods, such as HStrain or gStrain. See the line broadening page (https://easyspin.org/easyspin/documenta ... nings.html) for details.

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