Simulated models of inhomogeneous broadening in perturbed angular correlation spectroscopy (PAC)

ORAL

Abstract

All real crystals have defects: missing atoms (vacancies), impurities, atoms out of place, etc. In perturbed angular correlation (PAC), these defects produce damping of the correlation signal in time and broadening of the frequency spectrum. This broadening is termed ``inhomogeneous broadening'' since it is due to the inhomogeneities (i.e. defects) in the crystal. We have simulated PAC spectra for various concentrations (0.1\% to 5\%) of distant randomly distributed defects plus a near-neighbor vacancy in simple cubic and face-centered cubic crystal structures. For every particular set of defects, the randomly distributed defects and the near-neighbor vacancy together produce a net electric field gradient (EFG), from which we obtain the PAC spectrum. We fit average PAC spectra to study the effects of defect concentration and crystal structure on inhomogeneous broadening as an aid to analyzing experimental data.

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Authors

  • Michael A. Stufflebeam

    Utah Valley State College

  • Seth Putterman

    Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287, USA, Department of Physics, Arizona State University, Tempe, AZ 85287, USA, College of Optical Sciences, University of Arizona, Colorado State University, University of Virginia, Auburn University, Northern Kentucky University, Utah Valley State College, Brigham Young University, Arizona State University, University of Amsterdam, New Mexico State university, University of Minesota, Pulse Field Facility, NHMFL, LANL, NM, Institute of Physics ASCR , Czech Republic, University of Minesota-Twin City, New Mexico State University, Director, Advanced Photon Source, Argonne National Lab, Australian Synchotron Source, Advanced Photon Source, Argonne National Lab, University of Arizona, U.S. Naval Research Laboratory, Wellesley College, Observatoire de Paris, France, Freie Universitat Berlin, Florida State Univ., Univ. Sci. Tech. China, Iowa State University, Lawrence Livermore National Laboratory, Mahabad Azad University, Carnegie Mellon University, Tempe Preparatory Academy, University of California, Los Angeles

  • William Evenson

    Utah Valley State College

  • Seth Putterman

    Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287, USA, Department of Physics, Arizona State University, Tempe, AZ 85287, USA, College of Optical Sciences, University of Arizona, Colorado State University, University of Virginia, Auburn University, Northern Kentucky University, Utah Valley State College, Brigham Young University, Arizona State University, University of Amsterdam, New Mexico State university, University of Minesota, Pulse Field Facility, NHMFL, LANL, NM, Institute of Physics ASCR , Czech Republic, University of Minesota-Twin City, New Mexico State University, Director, Advanced Photon Source, Argonne National Lab, Australian Synchotron Source, Advanced Photon Source, Argonne National Lab, University of Arizona, U.S. Naval Research Laboratory, Wellesley College, Observatoire de Paris, France, Freie Universitat Berlin, Florida State Univ., Univ. Sci. Tech. China, Iowa State University, Lawrence Livermore National Laboratory, Mahabad Azad University, Carnegie Mellon University, Tempe Preparatory Academy, University of California, Los Angeles

  • Seth Putterman

    Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287, USA, Department of Physics, Arizona State University, Tempe, AZ 85287, USA, College of Optical Sciences, University of Arizona, Colorado State University, University of Virginia, Auburn University, Northern Kentucky University, Utah Valley State College, Brigham Young University, Arizona State University, University of Amsterdam, New Mexico State university, University of Minesota, Pulse Field Facility, NHMFL, LANL, NM, Institute of Physics ASCR , Czech Republic, University of Minesota-Twin City, New Mexico State University, Director, Advanced Photon Source, Argonne National Lab, Australian Synchotron Source, Advanced Photon Source, Argonne National Lab, University of Arizona, U.S. Naval Research Laboratory, Wellesley College, Observatoire de Paris, France, Freie Universitat Berlin, Florida State Univ., Univ. Sci. Tech. China, Iowa State University, Lawrence Livermore National Laboratory, Mahabad Azad University, Carnegie Mellon University, Tempe Preparatory Academy, University of California, Los Angeles