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Dysonian lines
Posted: Mon Aug 01, 2016 5:38 am
by gojijr
Hi all dear members of the forum,
I am a completely neophyte in easyspin, but I suspect my question can be pretty simple.
I am trying to simulate a Dysonian lineshape and I am wondering whether there is an already created code to simulate this kind of resonance. I tried to find any reference to Dysonian lines in the forum but didn't find anything.
Could anyone help me with this?
Thank you very much in advance.
Re: Dysonian lines
Posted: Fri Sep 09, 2016 12:28 am
by Stefan Stoll
EasySpin doesn't currently implement the Dyson lineshape, so you need to do it yourself. You could write a function that calculates the lineshape, and then use conv() to convolve it with a stick spectrum simulated with EasySpin.
Re: Dysonian lines
Posted: Tue May 03, 2022 4:00 am
by kruczala
Maybe something changed and Dysonian lineshape was implemented?
Re: Dysonian lines
Posted: Wed May 04, 2022 9:51 am
by Matt Krzyaniak
While it is not explicitly included, the tools within ES do exist.
Code: Select all
clear
sys.S = 1/2;
sys.g = 2;
sys.lwpp = [0 1];
Exp.Range = [330 350];
Exp.nPoints = 1024;
Exp.mwFreq = 9.517;
[x,y] = pepper(sys,Exp);
% calculate the dispersion
ydisp = hilberttrans(y);
%apply the phase shift which results in a weak Dysonian lineshape
phi = 0;
y = real(ydisp*exp(-1i*phi));
y = y/max(y);
% compared to an analytical equation
% weak dysonian from: PHYSICAL REVIEW B 72, 035209 2005
% dysonian = @(phi,dH,H0,H) cos(phi)/dH^2*( (-2*(H-H0)/dH + tan(phi)*(1-((H-H0)/dH).^2))./(1+((H-H0)/dH).^2).^2);
%A = [Amplitude phase linewidth center ]
dysonian = @(A,x) A(1)*cos(A(2))/A(3)^2*( (-2*(x-A(4))/A(3) + tan(A(2))*(1-((x-A(4))/A(3)).^2))./(1+((x-A(4))/A(3)).^2).^2);
dys = dysonian([1 phi 1 340],x);
dys = dys/max(dys);
plot(x,y,x,dys)
Re: Dysonian lines
Posted: Thu Jun 09, 2022 3:15 am
by Stefan Stoll
Thanks Matt!
There are no current plans of including the Dysonian lineshape in EasySpin.