Electronic structure of early 3<i>d</i>-transition-metal oxides by analysis of the 2<i>p</i>core-level photoemission spectra

Bocquet, A. E.; Mizokawa, T.; Morikawa, Kyojiro; Fujimori, A.; Barman, S. R.; Maiti, Kalobaran; Sarma, D. D.; Tokura, Y.; Onoda, Mitsuko

doi:10.1103/physrevb.53.1161

Cited by 353 publications

(286 citation statements)

References 43 publications

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“…The valence band consists of strongly hybridized metal d and pnictogen p states and is separated by a gap from the conduction band showing the expected semiconducting character. Our results for the current compounds are similar to those of ab initio calculations performed previously on other skutterudites [50][51][52] . Surprisingly, the electronic structure of the Rh variant calculated with the generalized gradient approximation (GGA) is semimetallic.…”

Section: Resultssupporting

confidence: 80%

A large family of filled skutterudites stabilized by electron count

et al. 2015

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The Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a 'polyanion', that fills its available energy states with electrons from the electropositive elements to obey fundamental electroncounting rules. Here we use this concept to discover a large family of filled skutterudites based on the group 9 transition metals Co, Rh, and Ir, the alkali, alkaline-earth, and rare-earth elements, and Sb 4 polyanions. Forty-three new filled skutterudites are reported, with 63 compositional variations-results that can be extended to the synthesis of hundreds of additional new compounds. Many interesting electronic and magnetic properties can be expected in future studies of these new compounds.

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Section: Resultssupporting

confidence: 80%

A large family of filled skutterudites stabilized by electron count

et al. 2015

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“…The broadening on the highenergy side is less severe than that of low-energy side, suggesting that in PbCrO 3 U is greater than Δ (i.e., a charge-transfer-type band structure). From the intensity of Kβ′, we infer that the local magnetic moments of α-and β-PbCrO 3 may be comparable to those of Cr 2 O 3 and CrN, respectively, both of which also exhibit charge-transfer-type band structure (47,48).…”

Section: Resultsmentioning

confidence: 99%

Unusual Mott transition in multiferroic PbCrO ₃

Wang

Zhu

Zhang

et al. 2015

Proc. Natl. Acad. Sci. U.S.A.

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The Mott insulator in correlated electron systems arises from classical Coulomb repulsion between carriers to provide a powerful force for electron localization. Turning such an insulator into a metal, the so-called Mott transition, is commonly achieved by “bandwidth” control or “band filling.” However, both mechanisms deviate from the original concept of Mott, which attributes such a transition to the screening of Coulomb potential and associated lattice contraction. Here, we report a pressure-induced isostructural Mott transition in cubic perovskite PbCrO3. At the transition pressure of ∼3 GPa, PbCrO3 exhibits significant collapse in both lattice volume and Coulomb potential. Concurrent with the collapse, it transforms from a hybrid multiferroic insulator to a metal. For the first time to our knowledge, these findings validate the scenario conceived by Mott. Close to the Mott criticality at ∼300 K, fluctuations of the lattice and charge give rise to elastic anomalies and Laudau critical behaviors resembling the classic liquid–gas transition. The anomalously large lattice volume and Coulomb potential in the low-pressure insulating phase are largely associated with the ferroelectric distortion, which is substantially suppressed at high pressures, leading to the first-order phase transition without symmetry breaking.

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“…21 Considering the above discussed two final states representing the electronic spectra within the first approximation, the electron correlation strength is expected to be close to 3 eV. 21,22 IV. CONCLUSIONS In summary, we studied the electronic structure of a BCS superconductor, ZrB 12 employing high resolution photoemission spectroscopy.…”

Section: Resultsmentioning

confidence: 99%

Surface bulk differences in a conventional superconductor, ZrB12

Thakur

Biswas

Sahadev

et al. 2013

Journal of Applied Physics

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We studied the electronic structure of a conventional superconductor, ZrB 12 , using high resolution x-ray photoemission spectroscopy and single crystalline samples. Experimental results with different bulk sensitivity reveal boron deficiency at the surface while the bulk is stoichiometric and different valence states of Zr at the surface relative to those in the bulk. Signature of satellite features is observed in the Zr core level spectra corresponding to the bulk of the material suggesting importance of electron correlation among the conduction electrons in the bulk while the surface appears to be uncorrelated. These results provide an insight on surface-bulk differences, which is important for fabrication of devices based on such superconductors. V C 2013 AIP Publishing LLC.

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Electronic structure of early 3d-transition-metal oxides by analysis of the 2pcore-level photoemission spectra

Cited by 353 publications

References 43 publications

A large family of filled skutterudites stabilized by electron count

A large family of filled skutterudites stabilized by electron count

Unusual Mott transition in multiferroic PbCrO ₃

Surface bulk differences in a conventional superconductor, ZrB12

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Electronic structure of early 3d-transition-metal oxides by analysis of the 2pcore-level photoemission spectra

Cited by 353 publications

References 43 publications

A large family of filled skutterudites stabilized by electron count

A large family of filled skutterudites stabilized by electron count

Unusual Mott transition in multiferroic PbCrO 3

Surface bulk differences in a conventional superconductor, ZrB12

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Product

Resources

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Unusual Mott transition in multiferroic PbCrO ₃