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A method for analyzing inelastic neutron scattering data for strongly correlated materials

A technology of neutron scattering and data analysis, which is used in material analysis using wave/particle radiation, analyzing materials, and complex mathematical operations. It can solve problems such as inability to fit magnetic excitation spectra.

Active Publication Date: 2022-07-05
INST OF NUCLEAR PHYSICS & CHEM CHINA ACADEMY OF
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  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

When analyzing the experimental data, the traditional crystal field model is no longer applicable, and cannot effectively fit the magnetic excitation spectrum (including peak intensity and peak position)

Method used

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  • A method for analyzing inelastic neutron scattering data for strongly correlated materials
  • A method for analyzing inelastic neutron scattering data for strongly correlated materials
  • A method for analyzing inelastic neutron scattering data for strongly correlated materials

Examples

Experimental program
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Embodiment 1

[0049] CeAuAl 3 As an example, a method for analyzing inelastic neutron scattering data of cerium-based materials is specifically introduced, including the following links:

[0050] a. According to CeAuAl 3 The point symmetry of the medium magnetic ion: C 4v , write the crystal field Hamiltonian using the standard Stephen formula: (step 1), where is the crystal field parameter, is the Stephen operator, the eigenvalue A is obtained by diagonalizing the Hamiltonian H of the crystal field α and eigenvectors (step 2),

[0051] Eigenvalue A α :

[0052] A 1 =-10.0184,

[0053] A 2 =-4.84099,

[0054] A 3 =14.8594

[0055] Eigenvectors

[0056]

[0057]

[0058]

[0059]

[0060]

[0061]

[0062] Among them, the subscript α represents the multiplicity, and the superscript m represents the degeneracy;

[0063] Eigenvalue A obtained based on (a) α and eigenvectors According to the formula Calculate the phonon contribution, where, To re...

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Abstract

The invention provides a data analysis method for inelastic neutron scattering of strongly correlated materials, the data analysis method includes the following steps: step (a) diagonalizing the traditional crystal field Hamiltonian, calculating the eigenvalue A and the intrinsic value Eigenvector A; step (b) integrates the contribution of phonons and the interaction factors of magnetoelastic coupling, diagonalizes the total Hamiltonian, and calculates eigenvalue B and eigenvector B; step (c) is based on step ( b) the obtained eigenvector B, calculate the matrix element; step (d) calculate the neutron scattering function according to the eigenvalue B obtained in step (b) and the matrix element of step (c), and fit the experimental data of neutron scattering , the magneto-elastic coupling coefficient g is obtained. The invention is suitable for fitting inelastic neutron scattering data observed above the magnetic phase transition temperature of strongly correlated materials, and can be used to analyze the phenomenon of crystal field excitation and phonon coupling in the material.

Description

technical field [0001] The invention belongs to the technical field of analysis and measurement of magnetic properties in strongly correlated electronic materials, in particular to a method for analyzing inelastic neutron scattering experimental data of strongly correlated materials. Background technique [0002] Inelastic neutron scattering techniques can be used to detect a variety of elementary excitations in materials, such as single-ion crystal field excitation, phonons. Although these two elementary excitations have similar energy scales, there is usually no coupling between them, so the crystal field energy levels and the phonon dispersion relationship are studied separately. However, in strongly correlated electronic materials, there may be coupling between local electron spin or orbital degrees of freedom and phonons, that is, coupling between crystal field excitation and phonons. At this time, in addition to the crystal field transitions inherent in the material, ...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G06F17/11G01N23/202
CPCG06F17/11G01N23/202
Inventor 刘本琼庞蓓蓓宋建明李鑫胡丙锋黄朝强孙光爱
Owner INST OF NUCLEAR PHYSICS & CHEM CHINA ACADEMY OF
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