Advances in Condensed Matter Physics

Review Article

Electronic Structure of Strongly Correlated Systems

Table 2

Exchange couplings 𝐽 𝑖 𝑗 (all with | 𝐽 𝑖 𝑗 | > 1 0  K) are presented [155]. The values are given in Kelvin. The spatial representation of the F e 𝐵 − F e 𝐵 exchange couplings is schematically shown in Figure 12. 𝐽 𝑖 𝑗 were calculated between the sublattices formed by the translations of the following Fe sites: F e 𝐴 1 (1/4,0.0034,0.06366), F e 𝐴 2 (1/4,−0.4938,0.18867), F e 𝐵 1 𝑎 (0,1/2,0), F e 𝐵 1 𝑏 (1/2,1/2,0), F e 𝐵 2 𝑎 (0,0.0096,1/4), F e 𝐵 2 𝑏 (1/2,0.0096,1/4), F e 𝐵 3 (−1/4,0.2659,0.1198), F e 𝐵 3 (1/4,−0.2659,−0.1198), F e 𝐵 3 (1/4,0.2659,0.3801), F e 𝐵 4 (1/4,0.2479,−0.1234), F e 𝐵 4 (−1/4,−0.2479,0.1234), and F e 𝐵 4 (1/4,−0.2479,0.3765).
𝑖 atom 𝑗 atom 𝐽 𝑖 𝑗 , K
F e 𝐴 1 F e 𝐵 1 𝑎 −69.7
F e 𝐵 1 𝑏 −69.9
F e 𝐵 2 𝑎 −42.0
F e 𝐵 2 𝑏 −42.1
F e 𝐵 3 −73.7
F e 𝐵 3 −48.1
F e 𝐵 4 −39.2
F e 𝐵 4 −52.9
F e 𝐴 2 F e 𝐵 1 𝑎 −40.0
F e 𝐵 1 𝑏 −27.0
F e 𝐵 2 𝑎 −74.8
F e 𝐵 2 𝑏 −77.4
F e 𝐵 3 −89.1
F e 𝐵 3 −31.1
F e 𝐵 4 −62.7
F e 𝐵 4 −27.8
F e 𝐵 1 𝑎 F e 𝐵 3 , F e 𝐵 3 + 1 2 . 7
F e 𝐵 1 𝑏 F e 𝐵 3 , F e 𝐵 3 + 2 7 . 5
F e 𝐵 2 𝑎 F e 𝐵 2 𝑏 − 1 1 . 6
F e 𝐵 3 F e 𝐵 4 + 1 6 . 8
F e 𝐵 4 F e 𝐵 3 + 1 6 . 8