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- W2085284023 abstract "The electronic structure of the mixed-valence Sm and Eu pnictides ${mathrm{R}}_{4}{X}_{3}$ ($mathrm{R}=mathrm{Sm}$, Eu; $X=mathrm{As}$, Sb, Bi) and samarium and europium chalcogenides ${mathrm{Sm}}_{3}{X}_{4}$ ($X=mathrm{S}$, Se, Te), ${mathrm{Eu}}_{3}{mathrm{S}}_{4}$ were investigated theoretically from first principles, using the fully relativistic Dirac LMTO band structure method. The electronic structure is obtained with the rotationally invariant $mathrm{LSDA}+mathrm{U}$ method. We find in ${mathrm{Sm}}_{4}{mathrm{Bi}}_{3}$ as a generic feature a very rigid pinning of the energy of Sm $4f$ hole states close to the top of the pnictide $p$ band and the Fermi level pinned to those hole states. ${mathrm{Eu}}_{4}{mathrm{Bi}}_{3}$ was found to be a semimetal with low density of states at the Fermi level. The main trends in the electronic structure of the sequence of ${mathrm{Sm}}_{4}{X}_{3}$ and ${mathrm{Eu}}_{4}{X}_{3}$ compounds ($X=mathrm{As}$, Sb, or Bi) are discussed. A detailed comparison of the electronic and magnetic structures of ${mathrm{Sm}}_{3}{mathrm{S}}_{4}$ and ${mathrm{Eu}}_{3}{mathrm{S}}_{4}$ compounds is also presented." @default.
- W2085284023 created "2016-06-24" @default.
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- W2085284023 date "2005-08-15" @default.
- W2085284023 modified "2023-10-07" @default.
- W2085284023 title "Electronic structure of mixed-valence and charge-ordered Sm and Eu pnictides and chalcogenides" @default.
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- W2085284023 doi "https://doi.org/10.1103/physrevb.72.085119" @default.
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