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Effect of Two‐Dimensional Crystal Orbitals on Fermi Surfaces and Electron Transport in Three‐Dimensional Perovskite Oxides
Author(s) -
Dylla Maxwell Thomas,
Kang Stephen Dongmin,
Snyder G. Jeffrey
Publication year - 2019
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201812230
Subject(s) - perovskite (structure) , fermi level , condensed matter physics , semiconductor , materials science , density functional theory , electronic structure , crystal (programming language) , density of states , chemical physics , thermoelectric materials , electronic band structure , chemistry , electron , computational chemistry , physics , thermal conductivity , crystallography , optoelectronics , quantum mechanics , computer science , programming language , composite material
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.