Charge-transfer energy in iridates: A hard x-ray photoelectron spectroscopy study

Magnetic excitations in the double-perovskite iridates La2MIrO6 (M=Co,Ni,andZnJin1, Chun2, Kim3 et al. 2022Phys. Rev. B4000View full textAdd to dashboardCite

“…53 The 5d -3d hybridization was the subject of the recent x-ray absorption spectroscopy investigation 17 as well as the HAXPES study. 48 In particular, the latter study showed that the Ir-O hybridization is very strong in both σ and π symmetry. The DFT calculation in this study also shows strongly hybridized Ni and Co states near the Fermi level, which is absent for the Zn states in LZIO.…”

“…This observation is consistent with the recent hard x-ray photoelectron spectroscopy (HAX-PES) study by Takegami et al, in which little difference between the Ir electronic structure for these three samples was observed. 48 Our results are also consistent with the RIXS spectrum reported for LZIO in Ref. 41, where features B and C at the energy transfers of ω ∼ 0.6−0.7 eV were attributed to the intraband t 2g crystal- field excitations from the j eff = 3/2 quartet to the j eff = 1/2 doublet, seperated due to the noncubic crystal-field splitting of the j eff = 3/2 manifold at the Ir 4+ sites.…”

“…The DFT calculation in this study also shows strongly hybridized Ni and Co states near the Fermi level, which is absent for the Zn states in LZIO. 48 The strong antiferromagnetic interaction between Co/Ni and Ir in these compounds can be understood considering the oxygen mediated hybridization. Since Co and Ni can only have unoccupied states with minority spin direction, the parallel spin configuration for Ir would be forbidden (See Fig.…”

The interplay between structural, magnetic and electronic states in the pyrochlore iridate Eu2Ir2O7

“…We have discussed the possible causes such as, Ir-Ir intersite hopping or Ir 5d bandwidth which could suppress the SOC. Indeed, the BR provides us with the expectation value of the spin-orbit operator < L.S >, which is certainly not the atomic SOC, but a renormalized effective SOC in the crystalline solid [45,[75][76][77][78]. Moreover, the trigonally distorted IrO1 6 octahedra, and the subsequent triply degenerate Ir t 2g energy level splitting would eventually rearrange the spin-orbit-derived Jstates, which can be associated with the lower value of effective SOC [76,79,80].…”

Identification of hidden orbital contributions in the La0.65Sr0.35MnO3 valence band

“…In this framework, the study of the LSMO valence states by hard x-ray photoelectron spectroscopy (HAXPES), with excitation photon energies larger than 2 keV, enhances the sensitivity to specific orbital components usually not achievable for lower excitation photon energies through the more favorable contributions of the sp/d photoionization cross sections and specific experimental geometries [12][13][14][15][16]. This approach has revealed, for example, the importance of the rare-earth-5p contribution in the valence band spectrum of rare-earth compounds containing 3d transition metal oxides [17], and has outlined the similarities in the O 2p and Ir 5d hybridization process in several double perovskites containing Ir [18]. In particular, in the present contribution we show that the joint soft x-ray photoelectron spectroscopy (SXPES)/HAXPES investigation allows to distinguish in detail the orbital distribution of the different element in the LSMO valence band spectra, hence highlighting spectral terms, especially close to the Fermi energy, which are usually hidden and thus overlooked.…”