- Tytuł:
- Comparative analysis of experimental and theoretical zero-field splitting and Zeeman electronic parameters for Fe²⁺ ions in FeX₂·4H₂O (X = F, Cl, Br, I) and [Fe(H₂O)₆](NH₄)₂(SO₄)₂
- Autorzy:
-
Zając, M.
Rudowicz, C. - Powiązania:
- https://bibliotekanauki.pl/articles/1055040.pdf
- Data publikacji:
- 2017-07
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
33.35.+r
71.70.Ch
71.70.Ej
76.20.+q
76.30.-v
76.30.Fc
87.80.Lg - Opis:
- Spectroscopic and magnetic properties of Fe²⁺ (3d⁶; S=2) ions at orthorhombic sites in FeX₂·4H₂O (X = F, Cl, Br, I) crystals are compared with those in [Fe(H₂O)₆](NH₄)₂(SO₄)₂ (FASH). The microscopic spin Hamiltonian modeling utilizing the package MSH/VBA enables prediction of the zero-field splitting parameters and the Zeeman electronic ones. Wide ranges of values of the microscopic parameters, i.e. the spin-orbit (λ), spin-spin (ρ) coupling constants, and the crystal-field (ligand-field) energy levels (Δp_{i}) within the ⁵D multiplet are considered to establish the dependence of the zero-field splitting parameters b_{k}^{q} (in the Stevens notation) and the Zeeman factors g_{i} on λ, ρ, and Δp_{i}. By matching the theoretical spin Hamiltonian parameters and the experimental ones measured by EMR, the suitable values of λ, ρ, and Δp_{i} are determined. The novel aspect is prediction of the fourth-rank zero-field splitting parameters and the ρ (spin-spin)-related contributions, not considered in previous studies. The MSH predictions provide guidance for high-magnetic field and high-frequency EMR measurements.
- Źródło:
-
Acta Physica Polonica A; 2017, 132, 1; 19-23
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł