Momentum-Resolved Electronic Structure of the High- Tc Superconductor Parent Compound BaBiO3

N. C. Plumb; D. J. Gawryluk; Y. Wang; Z. Ristić; J. Park; B. Q. Lv; Z. Wang; C. E. Matt; N. Xu; T. Shang; K. Conder; J. Mesot; S. Johnston; M. Shi; M. Radović

doi:10.1103/PhysRevLett.117.037002

Momentum-Resolved Electronic Structure of the High- Tc Superconductor Parent Compound BaBiO3

N. C. Plumb, D. J. Gawryluk, Y. Wang, Z. Ristić, J. Park, B. Q. Lv, Z. Wang, C. E. Matt, N. Xu, T. Shang, K. Conder, J. Mesot, S. Johnston, M. Shi, M. Radović

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49 Scopus citations

Abstract

We investigate the band structure of BaBiO3, an insulating parent compound of doped high-Tc superconductors, using in situ angle-resolved photoemission spectroscopy on thin films. The data compare favorably overall with density functional theory calculations within the local density approximation, demonstrating that electron correlations are weak. The bands exhibit Brillouin zone folding consistent with known BiO6 breathing distortions. Though the distortions are often thought to coincide with Bi3+/Bi5+ charge ordering, core level spectra show that bismuth is monovalent. We further demonstrate that the bands closest to the Fermi level are primarily oxygen derived, while the bismuth 6s states mostly contribute to dispersive bands at deeper binding energy. The results support a model of Bi-O charge transfer in which hole pairs are localized on combinations of the O 2p orbitals.

Original language	English
Article number	037002
Journal	Physical Review Letters
Volume	117
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevLett.117.037002
State	Published - Jul 12 2016
Externally published	Yes

Funding

The authors thank G.A. Sawatzky, K. Foyevtsova, and C. Mudry for insightful discussions. F. Dubi, M. Kropf, and L. Nue provided technical assistance at SIS beam line. D.J.G. received financial support from Sciex-NMSch (Project No.13.236) funded by the Swiss Confederation. Y.W. and S.J. were supported by the University of Tennessees Science Alliance Joint Directed Research and Development (JDRD) program, a collaboration with Oak Ridge National Laboratory. S.J. acknowledges additional support from the University of Tennessees Office of Research Engagements Organized Research Unit program. CPU time was provided in part by resources supported by the University of Tennessee and Oak Ridge National Laboratory Joint Institute for Computational Sciences.

Funders	Funder number
JDRD
Sciex-NMSch	13.236
Swiss Confederation
University of Tennessees Office of Research
University of Tennessees Science Alliance Joint Directed Research and Development
Oak Ridge National Laboratory
University of Tennessee

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10.1103/PhysRevLett.117.037002

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Plumb, N. C., Gawryluk, D. J., Wang, Y., Ristić, Z., Park, J., Lv, B. Q., Wang, Z., Matt, C. E., Xu, N., Shang, T., Conder, K., Mesot, J., Johnston, S., Shi, M., & Radović, M. (2016). Momentum-Resolved Electronic Structure of the High- Tc Superconductor Parent Compound BaBiO3. Physical Review Letters, 117(3), Article 037002. https://doi.org/10.1103/PhysRevLett.117.037002

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abstract = "We investigate the band structure of BaBiO3, an insulating parent compound of doped high-Tc superconductors, using in situ angle-resolved photoemission spectroscopy on thin films. The data compare favorably overall with density functional theory calculations within the local density approximation, demonstrating that electron correlations are weak. The bands exhibit Brillouin zone folding consistent with known BiO6 breathing distortions. Though the distortions are often thought to coincide with Bi3+/Bi5+ charge ordering, core level spectra show that bismuth is monovalent. We further demonstrate that the bands closest to the Fermi level are primarily oxygen derived, while the bismuth 6s states mostly contribute to dispersive bands at deeper binding energy. The results support a model of Bi-O charge transfer in which hole pairs are localized on combinations of the O 2p orbitals.",

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AU - Gawryluk, D. J.

AU - Wang, Y.

AU - Ristić, Z.

AU - Park, J.

AU - Lv, B. Q.

AU - Wang, Z.

AU - Matt, C. E.

AU - Xu, N.

AU - Shang, T.

AU - Conder, K.

AU - Mesot, J.

AU - Johnston, S.

AU - Shi, M.

AU - Radović, M.

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AB - We investigate the band structure of BaBiO3, an insulating parent compound of doped high-Tc superconductors, using in situ angle-resolved photoemission spectroscopy on thin films. The data compare favorably overall with density functional theory calculations within the local density approximation, demonstrating that electron correlations are weak. The bands exhibit Brillouin zone folding consistent with known BiO6 breathing distortions. Though the distortions are often thought to coincide with Bi3+/Bi5+ charge ordering, core level spectra show that bismuth is monovalent. We further demonstrate that the bands closest to the Fermi level are primarily oxygen derived, while the bismuth 6s states mostly contribute to dispersive bands at deeper binding energy. The results support a model of Bi-O charge transfer in which hole pairs are localized on combinations of the O 2p orbitals.

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Momentum-Resolved Electronic Structure of the High- Tc Superconductor Parent Compound BaBiO3

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