Predicting charge transport in the presence of polarons: The beyond-quasiparticle regime in SrTiO3

Zhou, Jin -Jian; Bernardi, Marco

doi:10.1103/PhysRevResearch.1.033138

Title: Predicting charge transport in the presence of polarons: The beyond-quasiparticle regime in ${SrTiO}_{3}$

Journal Article · 01 December 2019 · Physical Review Research

DOI: https://doi.org/10.1103/PhysRevResearch.1.033138 · OSTI ID:1576515

Zhou, Jin -Jian ^[1]; Bernardi, Marco ^[2]

California Inst. of Technology (CalTech), Pasadena, CA (United States). Dept. of Applied Physics and Materials Science; Caltech
California Inst. of Technology (CalTech), Pasadena, CA (United States). Dept. of Applied Physics and Materials Science

In materials with strong electron-phonon (e–ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Predicting charge transport and its temperature dependence in the polaron regime remains an open challenge. Here, we present first-principles calculations of charge transport in a prototypical material with large polarons, SrTiO₃. Using a cumulant diagram-resummation technique that can capture the strong e–ph interactions, our calculations can accurately predict the experimental electron mobility in SrTiO₃ between 150–300 K. They further reveal that for increasing temperature the charge transport mechanism transitions from bandlike conduction, in which the scattering of renormalized quasiparticles is dominant, to a beyond-quasiparticle transport regime governed by incoherent contributions due to the interactions between the electrons and their phonon cloud. Our work reveals long-sought microscopic details of charge transport in SrTiO₃, and provides a broadly applicable method for predicting charge transport in materials with strong e–ph interactions and polarons.

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Research Organization:: California Institute of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0004993

OSTI ID:: 1576515

Alternate ID(s):: OSTI ID: 1576674

Journal Information:: Physical Review Research, Journal Name: Physical Review Research Journal Issue: 3 Vol. 1; ISSN PPRHAI; ISSN 2643-1564

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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