Crystal-field splitting and the on-site Coulomb energy of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">La</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Sr</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi>−</mml:mi><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">T

Higuchi, Tohru; Tsukamoto, T.; Watanabe, Masamitsu; Grush, Melissa M.; Callcott, T. A.; Perera, R. C. C.; Ederer, D. L.; Tokura, Y.; Harada, Yoshihisa; Tezuka, Yasuhisa; Shin, S.

doi:10.1103/physrevb.60.7711

Cited by 56 publications

(45 citation statements)

References 24 publications

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“…Four dashed lines (A, B, C, and D peaks) show the fluorescence band. These energy positions of fluorescence spectrum are in a good agreement with those of the PES spectrum [5][6][7]. Therefore, we can estimate that the D and C peaks correspond to the bonding and nonbonding states of the O 2p valence band, and the A and B peaks correspond to the quasiparticle band and lowerHubbard band in the band gap energy region.…”

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“…The enhancement of electronic specific heat (g), which is proportional to the conduction electron effective mass (m Ã ), is expected for correlated metals near a metalinsulator (M-I) transition at x ¼ 0:05; though that is not expected for M-I transition at x ¼ 0:95 [1][2][3][4]. Therefore, the M-I transition is believed to be controlled by the relative magnitudes of the on-site Coulomb energy (U dd ) and the one-electron bandwidth (W); the system is metallic when U dd =W o1 and is an insulator when U dd =W > 1:In this paper, we present soft-X-ray emission spectroscopy (SXES) spectra of La 1Àx Sr x TiO 3 [5,6]. In small d-band filling region (xp0.90), we reported that the Raman scattering of the t 2g -resonance SXES spectra, which is attributed to dd transitions between the lower Hubbard and the quasiparticle bands, reflects the magnitude of the effective U dd =2: By using this technique, we estimate experimentally the effective U dd near the M-I transition at x ¼ 0:05:…”

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confidence: 99%

“…In this paper, we present soft-X-ray emission spectroscopy (SXES) spectra of La 1Àx Sr x TiO 3 [5,6]. In small d-band filling region (xp0.90), we reported that the Raman scattering of the t 2g -resonance SXES spectra, which is attributed to dd transitions between the lower Hubbard and the quasiparticle bands, reflects the magnitude of the effective U dd =2: By using this technique, we estimate experimentally the effective U dd near the M-I transition at x ¼ 0:05:…”

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confidence: 99%

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Electronic structure for the metal–insulator transition in La1−Sr TiO3 probed by resonant soft-X-ray emission spectroscopy

Higuchi

Tsukamoto

Taguchi

et al. 2004

Physica B: Condensed Matter

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confidence: 63%

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Electronic structure for the metal–insulator transition in La1−Sr TiO3 probed by resonant soft-X-ray emission spectroscopy

Higuchi

Tsukamoto

Taguchi

et al. 2004

Physica B: Condensed Matter

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“…57 We start from cubic symmetry, in which case the crystal field and the hybridization give rise to a splitting of the 3d orbitals into a triply degenerate t 2g level and a doubly degenerate e g level at higher energy. The splitting is denoted by 10 Dq, which roughly can be estimated as 2 ± 0.5 eV [33,58,59,60]. The electron-electron interaction within the 3d shell can be parameterized by the three Slater integrals F 0 , F 2 and F 4 .…”

Section: Resultsmentioning

confidence: 99%

Mott-Hubbard exciton in the optical conductivity ofYTiO3andSmTiO3

et al. 2008

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In the Mott-Hubbard insulators YTiO3 and SmTiO3 we study optical excitations from the lower to the upper Hubbard band,The multi-peak structure observed in the optical conductivity reflects the multiplet structure of the upper Hubbard band in a multi-orbital system. Absorption bands at 2.55 and 4.15 eV in the ferromagnet YTiO3 correspond to final states with a triplet d 2 configuration, whereas a peak at 3.7 eV in the antiferromagnet SmTiO3 is attributed to a singlet d 2 final state. A strongly temperature-dependent peak at 1.95 eV in YTiO3 and 1.8 eV in SmTiO3 is interpreted in terms of a Hubbard exciton, i.e., a charge-neutral (quasi-)bound state of a hole in the lower Hubbard band and a double occupancy in the upper one. The binding to such a Hubbard exciton may arise both due to Coulomb attraction between nearest-neighbor sites and due to a lowering of the kinetic energy in a system with magnetic and/or orbital correlations. Furthermore, we observe anomalies of the spectral weight in the vicinity of the magnetic ordering transitions, both in YTiO3 and SmTiO3. In the G-type antiferromagnet SmTiO3, the sign of the change of the spectral weight at TN depends on the polarization. This demonstrates that the temperature dependence of the spectral weight is not dominated by the spin-spin correlations, but rather reflects small changes of the orbital occupation.

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“…As indicated in Figure 3, inelastic peaks with constant energy loss follow the elastic peak represents the magnitude of the crystal-field splitting, wherein the ground state is without the core hole potential effect. 29,30 …”

Section: Xes Spectral Features Of 3d Tmosmentioning

confidence: 99%

X-ray spectroscopies studies of the 3d transition metal oxides and applications of photocatalysis

Kapilashrami

Chuang

et al. 2017

MRS Communications

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Abstract:Recent advances in synchrotron based X-ray spectroscopy enable materials scientists to emanate finger prints on important materials properties e.g. electronic, optical, structural and magnetic properties, in real time and under nearly real-world conditions. This characterization in combination with optimized materials synthesis routes and tailored morphological properties could contribute greatly to the advances in solid-state electronics and renewable energy technologies. In connection to this, such perspective reflects the current materials research in the space of emerging energy technologies, namely photocatalysis, with a focus on transition metal oxides (TMOs), mainly on the Fe 2 O 3 and TiO 2 based materials.

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Crystal-field splitting and the on-site Coulomb energy ofLaxSr1−xT

Cited by 56 publications

References 24 publications

Electronic structure for the metal–insulator transition in La1−Sr TiO3 probed by resonant soft-X-ray emission spectroscopy

Electronic structure for the metal–insulator transition in La1−Sr TiO3 probed by resonant soft-X-ray emission spectroscopy

Mott-Hubbard exciton in the optical conductivity ofYTiO3andSmTiO3

X-ray spectroscopies studies of the 3d transition metal oxides and applications of photocatalysis

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