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Related Concept Videos

NMR Spectrometers: Resolution and Error Correction01:14

NMR Spectrometers: Resolution and Error Correction

999
When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
999

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SPINVERT: a program for refinement of paramagnetic diffuse scattering data.

Joseph A M Paddison1, J Ross Stewart, Andrew L Goodwin

  • 1Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, UK. ISIS Facility, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0QX, UK.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|October 22, 2013
PubMed
Summary
This summary is machine-generated.

A new program, spinvert, refines magnetic diffuse scattering data for disordered magnets. It reconstructs 3D magnetic patterns and spin correlations from powder neutron diffraction data.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Magnetism

Background:

  • Magnetically disordered materials like spin liquids and spin glasses exhibit complex magnetic correlations.
  • Analyzing diffuse scattering data is crucial for understanding these correlations.
  • Previous methods faced challenges in reconstructing 3D magnetic structures from powder data.

Purpose of the Study:

  • Introduce the spinvert program for refining magnetic diffuse scattering data.
  • Enable the recovery of 3D magnetic diffuse scattering patterns and spin-pair correlation functions.
  • Demonstrate the program's utility with simulated and experimental data.

Main Methods:

  • Utilizes reverse Monte Carlo (RMC) refinement.
  • Fits large spin configurations to experimental powder neutron diffraction data.
  • Handles spherically averaged data to recover 3D information.

Main Results:

  • Successfully recovers 3D magnetic diffuse scattering patterns and spin-pair correlation functions.
  • Case study on kagome lattice shows sensitivity to pairwise and higher-order spin correlations.
  • Re-analysis of Y0.5Ca0.5BaCo4O7 reveals overlooked similarities with YBaCo4O7.

Conclusions:

  • The spinvert program is effective for analyzing magnetic diffuse scattering data from disordered magnets.
  • It provides insights into spin correlations and 3D magnetic structures.
  • The program facilitates new discoveries in frustrated magnets and spin liquids.