TY - JOUR
T1 - Effect of Two-Dimensional Crystal Orbitals on Fermi Surfaces and Electron Transport in Three-Dimensional Perovskite Oxides
AU - Dylla, Maxwell Thomas
AU - Kang, Stephen Dongmin
AU - Snyder, G. Jeffrey
N1 - Funding Information:
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.
Publisher Copyright:
© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2019/4/16
Y1 - 2019/4/16
N2 - 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.
AB - 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.
KW - Fermi surface
KW - electron transport
KW - hybridization
KW - orbital chemistry
KW - perovskite oxides
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U2 - 10.1002/anie.201812230
DO - 10.1002/anie.201812230
M3 - Review article
C2 - 30589168
AN - SCOPUS:85061441091
VL - 58
SP - 5503
EP - 5512
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
SN - 1433-7851
IS - 17
ER -