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Angular variation of electron paramagnetic resonance spectrum: simulation of a polycrystalline EPR spectrum.

Author(s): Misra SK

J Magn Reson. 1999 Mar;137(1):83-92 Authors: Misra SK

Article GUID: 10053135
A rigorous evaluation of spin-Hamiltonian parameters and linewidth from a polycrystalline EPR spectrum.

Author(s): Misra SK

J Magn Reson. 1999 Sep;140(1):179-88 Authors: Misra SK

Article GUID: 10479561
Variable-frequency EPR study of Mn(2+)-doped NH(4)Cl(0.9)I(0.1) single crystal at 9.6, 36, and 249.9 GHz: structural phase transition.

Author(s): Misra SK, Andronenko SI, Rinaldi G, Chand P, Earle KA, Freed JH

J Magn Reson. 2003 Feb;160(2):131-8 Authors: Misra SK, Andronenko SI, Rinaldi G, Chand P, Earle KA, Freed JH

Article GUID: 12615154
A variable temperature EPR study of Mn(2+)-doped NH(4)Cl(0.9)I(0.1) single crystal at 170 GHz: zero-field splitting parameter and its absolute sign.

Author(s): Misra SK, Andronenko SI, Chand P, Earle KA, Paschenko SV, Freed JH

J Magn Reson. 2005 Jun;174(2):265-9 Authors: Misra SK, Andronenko SI, Chand P, Earle KA, Paschenko SV, Freed JH

Article GUID: 15862243
Exchange-mediated spin-lattice relaxation of Fe3+ ions in borate glasses.

Author(s): Misra SK, Pilbrow JR

J Magn Reson. 2007 Mar;185(1):38-41 Authors: Misra SK, Pilbrow JR

Article GUID: 17140823
Simulation of slow-motion CW EPR spectrum using stochastic Liouville equation for an electron spin coupled to two nuclei with arbitrary spins: matrix elements of the Liouville superoperator.

Author(s): Misra SK

J Magn Reson. 2007 Nov;189(1):59-77 Authors: Misra SK

Article GUID: 17881269
Calculation of Double-Quantum-Coherence Two-dimensional Spectra: Distance Measurements and Orientational Correlations.

Author(s): Misra SK, Borbat PP, Freed JH

Appl Magn Reson. 2009 Dec 01;36(2-4):237-258 Authors: Misra SK, Borbat PP, Freed JH

Article GUID: 20161423
A 236-GHz Fe EPR STUDY OF NANO-PARTICLES OF THE FERRO-MAGNETIC ROOM-TEMPERATURE SEMICONDUCTOR Sn(1-x)Fe(x)O(2)(x=0.005).

Author(s): Misra SK, Andronenko SI, Punnoose A, Tipikin D, Freed JH

Appl Magn Reson. 2009 Dec 01;36(2):291-295 Authors: Misra SK, Andronenko SI, Punnoose A, Tipikin D, Freed JH

Article GUID: 20161547
A multifrequency EPR study of Fe2+ and Mn2+ ions in a ZnSiF(6).6H2O single crystal at liquid-helium temperatures.

Author(s): Misra SK, Diehl S, Tipikin D, Freed JH

J Magn Reson. 2010 Jul;205(1):14-22 Authors: Misra SK, Diehl S, Tipikin D, Freed JH

Article GUID: 20395160
Theory of EPR lineshape in samples concentrated in paramagnetic spins: effect of enhanced internal magnetic field on high-field high-frequency (HFHF) EPR lineshape.

Author(s): Misra SK, Diehl S

J Magn Reson. 2012 Jun;219:53-60 Authors: Misra SK, Diehl S

Article GUID: 22613039
Ferromagnetism in annealed Ce0.95Co0.05O2 and Ce0.95Ni0.05O2 nanoparticles.

Author(s): Misra SK, Andronenko SI, Harris JD, Thurber A, Beausoleil GL, Punnoose A

J Nanosci Nanotechnol. 2013 Oct;13(10):6798-805 Authors: Misra SK, Andronenko SI, Harris JD, Thurber A, Beausoleil GL, Punnoose A

Article GUID: 24245146
Study of paramagnetic defect centers in as-grown and annealed TiO2 anatase and rutile nanoparticles by a variable-temperature X-band and high-frequency (236 GHz) EPR.

Author(s): Misra SK, Andronenko SI, Tipikin D, Freed JH, Somani V, Prakash O

J Magn Magn Mater. 2016 Mar 01;401:495-505 Authors: Misra SK, Andronenko SI, Tipikin D, Freed JH, Somani V, Prakash O

Article GUID: 27041794
Title:Angular variation of electron paramagnetic resonance spectrum: simulation of a polycrystalline EPR spectrum.
Authors:Misra SK
Link:https://www.ncbi.nlm.nih.gov/pubmed/10053135?dopt=Abstract
Category:J Magn Reson
PMID:10053135
Dept Affiliation: PHYSICS
1 Physics Department, Concordia University, 1455 de Maisonneuve Boulevard West, Montreal, Quebec, H3G 1M8, Canada.

Description:

Angular variation of electron paramagnetic resonance spectrum: simulation of a polycrystalline EPR spectrum.

J Magn Reson. 1999 Mar;137(1):83-92

Authors: Misra SK

Abstract

A procedure based on homotopy, involving a quick calculation of EPR line positions for various orientations of the external magnetic field by the method of least-squares fitting and Taylor-series expansion, using a known line position at an infinitesimally close orientation of the external magnetic field as the initial value, by using the eigenvectors and eigenvalues of the spin-Hamiltonian matrix in single crystals, has been exploited to simulate a polycrystalline EPR spectrum. This requires rigorous calculations of intensities of resonant lines, along with their positions. Specifically, details are given of the numerical techniques involving time-efficient matrix diagonalization to obtain the eigenvalues and eigenvectors required to calculate positions and intensities of EPR lines by the method of least-squares fitting. Finally, the procedure of how to simulate a polycrystalline EPR spectrum is outlined, the required steps are listed, and illustrative examples are given.

PMID: 10053135 [PubMed - indexed for MEDLINE]