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- W3010334811 abstract "We study the electronic and magnetic properties of ferroelectric ${mathrm{CaMnTi}}_{2}{mathrm{O}}_{6}$ within density functional theory using the generalized gradient approximation (GGA) with the consideration of strong Coulomb correlations $(mathrm{GGA}+U)$ in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band structure method. The x-ray absorption spectra (XAS) and x-ray magnetic circular dichroism (XMCD) at the Mn, Ti ${L}_{2,3}$, and O $K$ edges have been investigated theoretically. The calculated results are in good agreement with experimental data. The core-hole effect in the final state as well as the effect of the electric quadrupole ${E}_{2}$ and magnetic dipole ${M}_{1}$ transitions have been investigated. The core-hole effect has improved the agreement with the experimental XAS and XMCD spectra at the Ti and Mn ${L}_{2,3}$ edges." @default.
- W3010334811 created "2020-03-13" @default.
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- W3010334811 date "2020-02-27" @default.
- W3010334811 modified "2023-09-27" @default.
- W3010334811 title "Electronic structure and x-ray magnetic circular dichroism in ferroelectric <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi>CaMnTi</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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- W3010334811 doi "https://doi.org/10.1103/physrevb.101.054441" @default.
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