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• W2051615062 abstract "${L}_{2,3}$ x-ray absorption near-edge structures (XANES) of $3d$ transition metal (TM) ions and their compounds are calculated by the all-electron relativistic configuration interaction method. The Breit interaction term, which is the first relativistic correction term for the electron-electron interaction in the quantum electrodynamics, is taken into account in the many-electron Hamiltonian. Then the effects on the multiplet structure for $3d$ TM ${L}_{2,3}$ XANES are investigated. The energy separation between ${L}_{3}$ and ${L}_{2}$ edges of theoretical spectrum decreases when the Breit interaction term is taken into account. At the final states of ${L}_{2,3}$ XANES, the Breit interaction energies linearly depend on the occupation number of TM $2{p}_{3∕2}$ orbitals. They are not influenced by the valency and the crystal field. This main contribution of the Breit interaction term is, therefore, calculated to be the reduction of the separation between ${L}_{3}$ and ${L}_{2}$ edges, which ranges from $0.49phantom{rule{0.3em}{0ex}}text{to}phantom{rule{0.3em}{0ex}}1.52phantom{rule{0.3em}{0ex}}mathrm{eV}$ for Sc to Cu." @default.
• W2051615062 created "2016-06-24" @default.
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• W2051615062 date "2008-02-27" @default.
• W2051615062 modified "2023-09-26" @default.
• W2051615062 title "Effects of Breit interaction on the<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mi>L</mml:mi><mml:mrow><mml:mn>2</mml:mn><mml:mo>,</mml:mo><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math>x-ray absorption near-edge structures of 3<i>d</i>transition metals" @default.
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• W2051615062 doi "https://doi.org/10.1103/physrevb.77.075127" @default.
• W2051615062 hasPublicationYear "2008" @default.
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