Advances in Condensed Matter Physics

Review Article

Electronic Structure of Strongly Correlated Systems

Table 6

Total ( 𝑞 ) and 𝑙 -projected ( 𝑞 𝑠 , 𝑝 , 𝑑 ) charges, magnetic moments ( 𝑀 ) , and occupation of the most populated 𝑡 2 𝑔 orbitals ( 𝑛 ) calculated for inequivalent Ti atoms in the low-temperature 𝑃 1 phase of T i 4 O 7 [187].
Ti ion 𝑞 𝑞 𝑠 𝑞 𝑝 𝑞 𝑑 𝑀 ( 𝜇 𝐵 ) 𝑡 2 𝑔 orbital 𝑛
T i ( 1 ) 3 + 2.27 0.18 0.27 1.83 0.66 𝑑 𝑥 𝑦 ↑ 0.74
T i ( 2 ) 4 + 2.22 0.22 0.33 1.68 0.040.08
T i ( 3 ) 3 + 2.16 0.18 0.25 1.74 − 0 . 6 7 𝑑 𝑥 𝑦 ↓ 0.73
T i ( 4 ) 4 + 2.16 0.21 0.33 1.62 − 0 . 0 2 0.07