Inelastic neutron scattering data analysis method of strong correlation material

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

Active Publication Date: 2020-06-23
INST OF NUCLEAR PHYSICS & CHEM CHINA ACADEMY OF
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  • Description
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Problems solved by technology

When analyzing the experimental data, the traditional crystal field model is no longer applicable, an

Method used

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  • Inelastic neutron scattering data analysis method of strong correlation material
  • Inelastic neutron scattering data analysis method of strong correlation material
  • Inelastic neutron scattering data analysis method of strong correlation material

Examples

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Embodiment 1

[0051] CeAuAl 3 As an example, a specific analysis method for inelastic neutron scattering data of cerium-based materials is introduced, including the following links:

[0052] a. According to CeAuAl 3 Point symmetry of magnetic ions in: C 4v , using the standard Stephen's formula to write the crystal-field Hamiltonian: (step 1), where is the crystal field parameter, Is the Stephen operator, the diagonalization of the crystal field Hamiltonian H is calculated to obtain the eigenvalue A α and eigenvectors (step 2),

[0053] Eigenvalue A α :

[0054] A 1 =-10.0184,

[0055] A 2 =-4.84099,

[0056] A 3 =14.8594

[0057] eigenvector

[0058]

[0059]

[0060]

[0061]

[0062]

[0063]

[0064] Among them, the subscript α indicates the multiplicity, and the superscript m indicates the degeneracy;

[0065] The eigenvalue A obtained based on (a) α and eigenvectors according to the formula Calculate the phonon contribution, where, is t...

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Abstract

The invention provides an inelastic neutron scattering data analysis method for a strong correlation material, and the method comprises the following steps: (a) diagonalizing the Hamiltonian quantityof a conventional crystal field, and calculating an eigenvalue A and an eigenvector A; (b) diagonalizing the total Hamiltonian quantity by integrating phonon contribution and magnetoelastic coupling interaction factors, and calculating an eigenvalue B and an eigenvector B; (c) calculating a matrix element according to the eigenvector B obtained in the step (b); and (d) calculating a neutron scattering function according to the eigenvalue B obtained in the step (b) and the matrix element obtained in the step (c), and fitting neutron scattering experimental data to obtain a magnetoelastic coupling coefficient g. The method is suitable for fitting the non-elastic neutron scattering data observed above the magnetic phase transition temperature of the strongly correlated material, and can be used for analyzing the crystal field excitation and phonon coupling phenomenon in the material.

Description

technical field [0001] The invention belongs to the technical field of magnetic property analysis and measurement in strongly correlated electronic materials, and in particular relates to a method for analyzing experimental data of inelastic neutron scattering of strongly correlated materials. Background technique [0002] Various elementary excitations in materials, such as single-ion crystal field excitations, phonons, can be detected using inelastic neutron scattering techniques. Although these two meta-excitations have similar energy scales, there is usually no coupling between them, so the two phenomena, crystal field energy levels and phonon dispersion relations, are studied separately. However, in strongly correlated electronic materials, there may be coupling between the local electron spin or orbital degree of freedom and the phonon, that is, the coupling between the crystal field excitation and the phonon. At this time, in the magnetic excitation spectrum measured...

Claims

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Application Information

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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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