Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide

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Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide

Z. Lebens-Higgins, D. O. Scanlon, H. Paik, S. Sallis, Y. Nie, M. Uchida, N. F. Quackenbush, M. J. Wahila, G. E. Sterbinsky, Dario A. Arena, J. C. Woicik, D. G. Schlom, and L. F. J. Piper

Phys. Rev. Lett. 116, 027602 – Published 15 January 2016

Abstract

We have directly measured the band gap renormalization associated with the Moss-Burstein shift in the perovskite transparent conducting oxide (TCO), La-doped ${BaSnO}_{3}$ , using hard x-ray photoelectron spectroscopy. We determine that the band gap renormalization is almost entirely associated with the evolution of the conduction band. Our experimental results are supported by hybrid density functional theory supercell calculations. We determine that unlike conventional TCOs where interactions with the dopant orbitals are important, the band gap renormalization in $La − {BaSnO}_{3}$ is driven purely by electrostatic interactions.

Received 29 July 2015

DOI:https://doi.org/10.1103/PhysRevLett.116.027602

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Physics Subject Headings (PhySH)

Band gap Electronic structure

Oxides

Density functional theory X-ray photoelectron spectroscopy

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Z. Lebens-Higgins¹, D. O. Scanlon^2,*, H. Paik³, S. Sallis⁴, Y. Nie^3,5, M. Uchida^5,6, N. F. Quackenbush¹, M. J. Wahila¹, G. E. Sterbinsky⁷, Dario A. Arena⁸, J. C. Woicik⁹, D. G. Schlom^3,10, and L. F. J. Piper^1,4,†

¹Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, 10 New York 13902, USA
²Kathleen Lonsdale Materials Chemistry, Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom
³Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853, USA
⁴Materials science and Engineering, Applied Physics and Astronomy, Binghamton University, Binghamton, 10 New York 13902, USA
⁵Laboratory of Atomic and Solid State Physics, Department of Physics, Cornell University, Ithaca, New York 14853, USA‡
⁶Department of Applied Physics and Quantum-Phase Electronics Center (QPEC), University of Tokyo, Tokyo 113-8656, Japan
⁷National Synchrotron Light Source, Brookhaven National Laboratory, Upton, New York 11973, USA§
⁸National Synchrotron Light Source-II, Basic Energy Sciences Directorate, Brookhaven National Laboratory, Upton, New York 11973, USA¶
⁹Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA
¹⁰Kavli Institute at Cornell for Nanoscale Science, Ithaca, New York 14853, United States

^*d.scanlon@ucl.ac.uk
^†lpiper@binghamton.edu
^‡Present address: National Laboratory of Solid State Microstructures and College of Engineering and Applied Sciences, Nanjing University, Nanjing, 210093, People’s Republic of China.
^§Present address: Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, USA.
^¶Present address: Department of Physics, University of South Florida, Tampa, Florida 33620, USA.

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Vol. 116, Iss. 2 — 15 January 2016

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