Advances in Condensed Matter Physics

Review Article

Electronic Structure of Strongly Correlated Systems

Table 3

Total and 𝑙 -projected charges, magnetic moments, and occupation of the most populated 𝑡 2 𝑔 orbitals calculated for inequivalent Fe atoms in the low-temperature 𝑃 2 1 / 𝑐 phase of F e 2 O B O 3 [211].
Fe ion 𝑞 𝑞 𝑠 𝑞 𝑝 𝑞 𝑑 𝑀 ( 𝜇 𝐵 ) 𝑡 2 𝑔 orbital 𝑛
F e ( 1 ) 3 + 6.90 0.40 0.55 5.95 − 4 . 1 6 — 0 . 1 0
F e ( 1 ) 2 + 7.12 0.35 0.50 6.27 − 3 . 6 2 𝑑 𝑥 𝑦 ↓ 0.91
F e ( 2 ) 3 + 6.79 0.38 0.54 5.86 4.30 — 0.09
F e ( 2 ) 2 + 7.04 0.34 0.50 6.21 3.67 𝑑 𝑥 𝑦 ↑ 0.89