Abstract
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.
Original language | English (US) |
---|---|
Pages (from-to) | 5503-5512 |
Number of pages | 10 |
Journal | Angewandte Chemie - International Edition |
Volume | 58 |
Issue number | 17 |
DOIs | |
State | Published - Apr 16 2019 |
Funding
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.
Keywords
- Fermi surface
- electron transport
- hybridization
- orbital chemistry
- perovskite oxides
ASJC Scopus subject areas
- General Chemistry
- Catalysis