Intermetallic charge transfer in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>FeTiO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>probed by resonant inelastic soft x-ray scattering

Agui, Akane; Uozumi, Takayuki; Mizumaki, Masaichiro; Käämbre, Tanel

doi:10.1103/physrevb.79.092402

Cited by 23 publications

(15 citation statements)

References 17 publications

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“…For example, it fails to reproduce the fine structure of the 2p 3/2 main line (ML) observed in a series of TMOs (transition metal oxide) [4][5][6][7][8][9][10][11]. A similar failure of the CM was reported for other excitation processes, such as L-edge RIXS in TMOs [20]. It was proposed that the failure results from the absence of so-called nonlocal screening (NLS) [21].…”

Section: Introductionmentioning

confidence: 82%

LDA+DMFT approach to core-level spectroscopy: Application to 3d transition metal compounds

2017

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We present a computational study of 2p core-level X-ray photoemission spectra of transition metal monoxides MO (M=Ni, Co, Mn) and sesquioxides M2O3 (M=V, Cr, Fe) using a theoretical framework based on the local-density approximation (LDA) + dynamical mean-field theory (DMFT). We find a very good description of the fine spectral features, which improves considerably over the conventional cluster model. We analyze the role of the non-local screening and its relationship to the long-range magnetic order and the lattice geometry. Our results reveal the potential of the present method for the analysis and interpretation of the modern high-energy-resolution experiments.I.

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Section: Introductionmentioning

confidence: 82%

LDA+DMFT approach to core-level spectroscopy: Application to 3d transition metal compounds

2017

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“…In an effort to contribute to the debate about the origin of magnetism in LaCoO 3 , we employ 2p3d resonant inelastic x-ray scattering (2p3d RIXS) to study the complex electronic configuration of the Co ions in a LaCoO 3 single crystal and strained thin films. 2p3d RIXS probes both the local [26][27][28][29][30][31][32][33][34] and collective excitations [35][36][37][38][39][40][41][42], including small lattice distortions [43][44][45]. In the case of LaCoO 3 , the 2p3d RIXS process in the ionic limit can be described as 3d 6 > 2p 5 3d 7 > 3d 6 transitions of Co 3+ ions, which allows us to distinguish the spin-state manifolds.…”

Section: Introductionmentioning

confidence: 99%

Low-energy orbital excitations in strained LaCoO3 films

et al. 2019

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We present 90 meV resolved Co 2p3d resonant inelastic x-ray scattering linear dichroism spectra of strained LaCoO 3 films and a LaCoO 3 single crystal. A polarization-dependent low-energy excitation is observed at ∼0.2 eV on the tensile-strained LaCoO 3 /SrTiO 3 film, while it is not observed in either bulk LaCoO 3 or the compressive-strained LaCoO 3 /LaAlO 3 film. Guided by cluster calculations, we are able to distinguish the spin-state manifolds close to their transition point of Co 3+ ions in LaCoO 3 systems. Through a polarization analysis, we show that the spin state can easily flip from a low-spin 1 A 1g state in an octahedral symmetry to the high-spin 5 B 2g or 5 E g states with a small tetragonal distortion. A mixture of spin states suggests that the high-spin Co 3+ plays an important role in long-range ferromagnetic order on both tensile-and compressive-strained LaCoO 3 films.

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“…1. Agui et al 8 also proposed an existence of inter-metallic charge transfer via a direct Ti 3d À Fe 3d interaction on a basis of resonant inelastic soft-x-ray inelastic-scattering spectra complemented with full-multiplet calculations, but the distribution of electron density deduced from x-ray-diffraction shows a decreased density of charge along a direct Fe-Ti connection, across the shared face, with increasing pressure. 9 Direct charge transfer via Fe and Ti atoms along the c axis seems unlikely.…”

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confidence: 99%

“…Because of the 4p orbital of transition metals is broad and highly delocalized, we thus expect that the Ti 4p orbital to make an additional contribution to the orbital connection in the ab plane. Based on the existence of a direct Ti 3d À Fe 3d interaction, demonstrated with resonant inelastic soft x-ray inelastic-scattering measurements, 8 Fig. 1) might thus serve for charge transfer when pressure is applied.…”

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Orbital structure of FeTiO3 ilmenite investigated with polarization-dependent X-ray absorption spectroscopy and band structure calculations

Chen

Mei-Chun

Lin

et al. 2013

Applied Physics Letters

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Intermetallic charge transfer inFeTiO3probed by resonant inelastic soft x-ray scattering

Cited by 23 publications

References 17 publications

LDA+DMFT approach to core-level spectroscopy: Application to 3d transition metal compounds

LDA+DMFT approach to core-level spectroscopy: Application to 3d transition metal compounds

Low-energy orbital excitations in strained LaCoO3 films

Orbital structure of FeTiO3 ilmenite investigated with polarization-dependent X-ray absorption spectroscopy and band structure calculations

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