Published May 9, 2019 | Version Submitted
Discussion Paper Open

Unveiling the Origin of Charge Transport in SrTiO_3 Beyond the Quasiparticle Regime

Abstract

In materials with strong electron-phonon (e-ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Charge transport and its temperature dependence in the polaron regime remain poorly understood. Here, we present first-principles calculations of charge transport in a prototypical material with large polarons, SrTiO_3. Using a cumulant diagram-resummation technique that can capture the strong e-ph interactions, our calculations can accurately predict the experimental electron mobility in SrTiO_3 between 150−300 K. They further reveal that for increasing temperature the charge transport mechanism transitions from band-like conduction, in which the scattering of renormalized quasiparticles is dominant, to an incoherent transport regime governed by dynamical interactions between the electrons and their phonon cloud. Our work reveals long-sought microscopic details of charge transport in SrTiO_3, and provides a broadly applicable method for predicting charge transport in materials with strong e-ph interactions and polarons.

Additional Information

J.-J.Z. has benefited from discussion with N.-E. Lee. This work was supported by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award No. DESC0004993. M.B. acknowledges support by the National Science Foundation under Grant No. ACI-1642443, which provided for code development, and Grant No. CAREER-1750613, which provided for theory and method development. This work was partially supported by the Air Force Office of Scientific Research through the Young Investigator Program, Grant FA9550-18-1-0280. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

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Additional details

Additional titles

Alternative title
Unveiling the Origin of Charge Transport in SrTiO3 Beyond the Quasiparticle Regime

Identifiers

Eprint ID
95435
Resolver ID
CaltechAUTHORS:20190513-123336733

Related works

Funding

Joint Center for Artificial Photosynthesis (JCAP)
Department of Energy (DOE)
DE-SC0004993
NSF
ACI-1642443
NSF
DMR-1750613
Air Force Office of Scientific Research (AFOSR)
FA9550-18-1-0280
Department of Energy (DOE)
DE-AC02-05CH11231

Dates

Created
2019-05-13
Created from EPrint's datestamp field
Updated
2023-06-02
Created from EPrint's last_modified field

Caltech Custom Metadata

Caltech groups
JCAP , Physics Department