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Effect of Two-Dimensional Crystal Orbitals on Fermi Surfaces and Electron Transport in Three-Dimensional Perovskite Oxides

Dylla, Maxwell Thomas and Kang, Stephen Dongmin and Snyder, G. Jeffrey (2019) Effect of Two-Dimensional Crystal Orbitals on Fermi Surfaces and Electron Transport in Three-Dimensional Perovskite Oxides. Angewandte Chemie International Edition, 58 (17). pp. 5503-5512. ISSN 1433-7851. doi:10.1002/anie.201812230.

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Perovskite oxides are candidate materials in catalysis, fuel cells, thermoelectrics, and electronics, where electronic transport is vital to their use. While the fundamental transport properties of these materials have been heavily studied, there are still key features that are not well understood, including the temperature‐squared behavior of their resistivities. Standard transport models fail to account for this atypical property because Fermi surfaces of many perovskite oxides are low‐dimensional and distinct from traditional semiconductors. In this work, the low‐dimensional Fermi surfaces of perovskite oxides are chemically interpreted in terms of two‐dimensional crystal orbitals that form the conduction bands. Using SrTiO_3 as a case study, the d/p‐hybridization that creates these low‐dimensional electronic structures is reviewed and connected to its fundamentally different electronic properties. A low‐dimensional band model explains several experimental transport properties, including the temperature and carrier‐density dependence of the effective mass, the carrier‐density dependence of scattering, and the temperature dependence of resistivity. This work highlights how chemical bonding influences semiconductor transport.

Item Type:Article
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URLURL TypeDescription
Kang, Stephen Dongmin0000-0002-7491-7933
Snyder, G. Jeffrey0000-0003-1414-8682
Additional Information:© 2019 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim. Version of Record online: 12 February 2019; Accepted manuscript online: 27 December 2018; Manuscript revised: 19 December 2018; Manuscript received: 25 October 2018. We thank the National Science Foundation for funding (DMREF‐1729487 and DMREF‐1333335) and Dr. Anubhav Jain at Berkeley National Laboratory for helpful discussions of the orbital chemistry and cluster computing time. The authors declare no conflict of interest.
Funding AgencyGrant Number
Subject Keywords:electron transport; Fermi surface; hybridization; orbital chemistry; perovskite oxides
Issue or Number:17
Record Number:CaltechAUTHORS:20190219-083019820
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Official Citation:M. T. Dylla, S. D. Kang, G. J. Snyder, Angew. Chem. Int. Ed. 2019, 58, 5503; doi: 10.1002/anie.201812230
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:92967
Deposited By: Tony Diaz
Deposited On:19 Feb 2019 18:27
Last Modified:16 Nov 2021 16:54

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