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.
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[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
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[0059]
[0060]
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[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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