2005
DOI: 10.1103/physrevb.72.085119
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Electronic structure of mixed-valence and charge-ordered Sm and Eu pnictides and chalcogenides

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Cited by 31 publications
(24 citation statements)
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“…The LSDA+U partial DOSs of antiferromagnetic (AF) Sm 4 Bi 3 are shown in Figure 81 [455]. In order to imitate the nonmagnetic (J = 0) ground state of Sm 2+ ion the exchange-correlation potential is taken to be the same for both spin states within the corresponding atomic spheres.…”
Section: Sm 4 Bimentioning
confidence: 99%
“…The LSDA+U partial DOSs of antiferromagnetic (AF) Sm 4 Bi 3 are shown in Figure 81 [455]. In order to imitate the nonmagnetic (J = 0) ground state of Sm 2+ ion the exchange-correlation potential is taken to be the same for both spin states within the corresponding atomic spheres.…”
Section: Sm 4 Bimentioning
confidence: 99%
“…Actually, trivalent europium was found to exhibit Van Vleck paramagnetism in europium nitrides15. Interestingly, according to Antonov et al21, the same holds for Eu 3 S 4, i.e., only the Eu ++ ions carry a magnetic moment which is equal to 7 μ B /ion. This allows us to treat the magnetism of EuS in our samples as a problem of mean value and neglect the real crystallographic structure.…”
Section: Resultsmentioning
confidence: 93%
“…Europium is trivalent in ionic and some metallic compounds and the total momentum of the 4f shell is zero (J = 0). Several europium pnictidies and chalcogenides exhibit the mixed-valence phase transition ( [2] and references cited therein). In the EuF 3 compound, Eu exhibits the Eu 3+ (4f 6 ) state with possible surface valence transition to Eu 2+ state [3,4].…”
Section: Introduction and Computational Detailsmentioning
confidence: 99%
“…In polycrystalline EuT 2 X 2 , where T is the transition metal and X = Si or Ge, the valence of europium is unstable and depends on temperature, pressure and composition (Si ↔ Ge substitution) ( [5] and references cited therein). The valence of metallic Eu and in its compounds was the subject of the theoretical band structure investigations [1,2], but the EuF 3 and EuCo 2 X 2 compounds were * Corresponding author at: ul. Bankowa not studied up to now.…”
Section: Introduction and Computational Detailsmentioning
confidence: 99%
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