epraya.Calresonant#

Calresonant(Hamer, Expe, Nucl='None', diagram=False)#

Function for the calculation of the EPR cw spectrum of monocristal systems. Uses a formulation similar to the Eresonant function, to calculate the resonant fields and intensities, but calculates de absorption curve (first integral) of the spectrum that is numerically derived, producing the final spectrum.

Parameters:

  • Hamer (Class) – Container for the hamiltonian parameters of the system.

  • Expe (Class) – Container for the experimental conditions.

  • Nucl (str) – Isotope of the sample. Can be the quantum number and the element or only the element (‘55Mn’ or ‘Mn’)

  • diagram (Bool) – To pass the Energy data.

Returns:

  • Blist (jax.np.array) – Array of the magnetic field.

  • epc (jax.np.array) – Array of the counts of the spectrum.

Example

>>> import matplotlib.pyplot as plt
>>> import epraya as epr
>>> import numpy as np
>>> Ham,Exp,_=epr.Jstart()
>>> Ham.S=3/2
>>> Ham.I=1
>>> Ham.g=np.array([2.003, 2, 2])
>>> Ham.A=np.array([200, 200, 200])  #Hyperfine constant
>>> Ham.D=np.array([800,200])      #Zero field D and E
>>> Ham.Hpp=[0,10]
>>> Exp.Freq=9.4
>>> Exp.Points=4096
>>> Exp.Temperature=300
>>> Exp.Frange=[0,800]
>>> print(epr.Calresonant(Ham,Exp))
(Array([0.00000000e+00, 1.95360195e-01, 3.90720391e-01, ...,
   7.99609280e+02, 7.99804640e+02, 8.00000000e+02], dtype=float64),
Array([-1.64840330e-07, -1.10427100e-07, -8.03249933e-08, ...,
-8.85167972e-08, -8.84171157e-08, -8.83673152e-08], dtype=float64))