Theoretical studies of the spin-Hamiltonian parameters and their stress dependences for Ru3+ and Ir4+ ions in Y3Ga5O12 crystals

Mechanism of Basal-Plane Antiferromagnetism in the Spin-Orbit Driven IridateBa2IrO4

“…A direct estimate of the spin-orbit coupling can be also obtained from the splitting of the j = 1/2 and j = 3/2 t 5 2g states for idealized cubic octahedra. It turns out that for perfect octahedra λ = 0.47 eV [34,53], close to values of 0.4-0.5 eV earlier derived from electron spin resonance and optical measurements on 5d 5 ions [54][55][56][57]. The ratio ∆/λ is therefore rather small, ≈0.…”

Ab initiodetermination of excitation energies and magnetic couplings in correlated quasi-two-dimensional iridates

“…The energies of the two components of the j = 3/2 quartet, split off by the tetragonal field, are in that case 0.69 and 0.73 in Sr 2 IrO 4 and 0.64 and 0.71 in Ba 2 IrO 4 . These results for the energy separation between the j = 1/2 and j = 3/2 states imply an effective spin-orbit coupling parameter λ for Sr/Ba 214 of 0.46/0.43 eV, which is surprisingly close to values of 0.39-0.50 eV extracted for Ir 4+ impurities from electron spin resonance measurements [31,32].…”

Investigations of the spin-Hamiltonian parameters and tetragonal distortions due to Jahn–Teller effect for the monovalent d9 (Ni+, Pd+, Pt+) impurity centers in AgCl crystals

“…From a number of studies for the hyperfine structure constants A i of md n ions in the same crystal, a trend that the core polarization constant Ä increases with the increase of m is found [33,34,37,40]. The values of Ä for md 9 ions in AgCl crystals obtained from the above calculations are in keeping with the trend and can be regarded as reasonable.…”

“…[36] are given in Table 1. The ratio A 2 (R 0 )/A 4 (R 0 ) ≈ 10 ± 2, 6 ± 2 and 5 ± 2 for 3d n , 4d n and 5d n ions in crystals, respectively [31][32][33][34][35]37]. We take A 2 (R 0 )/A 4 (R 0 ) ≈ 10.5, 6 and 5 for Ni + , Pd + and Pt + in AgCl crystal.…”