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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:A rigorous evaluation of spin-Hamiltonian parameters and linewidth from a polycrystalline EPR spectrum.
Authors:Misra SK
Link:https://www.ncbi.nlm.nih.gov/pubmed/10479561?dopt=Abstract
Category:J Magn Reson
PMID:10479561
Dept Affiliation: PHYSICS
1 Physics Department, Concordia University, 1455 de Maisonneuve Boulevard West, Montreal, Quebec, H3G 1M8, Canada.

Description:

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

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

Authors: Misra SK

Abstract

Details are given of a procedure to evaluate the spin-Hamiltonian (SH) parameters and the linewidth from a polycrystalline EPR spectrum by using a least-squares fitting (LSF) technique in conjunction with numerical diagonalization of the SH matrix. The required resonance line positions are computed rather quickly using a homotopy technique, in which the position at an external magnetic field (B) orientation (theta, phi) is used as the initial value in a LSF procedure to estimate the position at an infinitesimally close B-orientation, (theta + deltatheta, phi + deltaphi). The resonance line positions are calculated successively in this procedure for all orientations of B over a grid of (theta, phi) values for the unit sphere. The eigenvectors of the SH matrix are used to calculate the intensities of the EPR lines exactly for each orientation of B. Details are given of how to compute rigorously the first and second derivatives of the chi(2)-function with respect to the SH parameters and the linewidth using the eigenvalues and eigenvectors of the spin-Hamiltonian matrix for a polycrystalline spectrum required in the LSF procedure. It is explained how this technique is generalized to include two or more magnetically inequivalent paramagnetic species, as well as how it is used for the simulation of other EPR-related spectra. The procedure is illustrated by evaluation of the Mn(2+) SH parameters and Lorentzian linewidth from the 249.9-GHz EPR spectrum of Mn(gamma-picoline)(4)I(2).

PMID: 10479561 [PubMed - indexed for MEDLINE]