• Editors' Suggestion

Effects of Sublattice Symmetry and Frustration on Ionic Transport in Garnet Solid Electrolytes

Boris Kozinsky, Sneha A. Akhade, Pierre Hirel, Adham Hashibon, Christian Elsässer, Prateek Mehta, Alan Logeat, and Ulrich Eisele
Phys. Rev. Lett. 116, 055901 – Published 5 February 2016
PDFHTMLExport Citation

Abstract

We use rigorous group-theoretic techniques and molecular dynamics to investigate the connection between structural symmetry and ionic conductivity in the garnet family of solid Li-ion electrolytes. We identify new ordered phases and order-disorder phase transitions that are relevant for conductivity optimization. Ionic transport in this materials family is controlled by the frustration of the Li sublattice caused by incommensurability with the host structure at noninteger Li concentrations, while ordered phases explain regions of sharply lower conductivity. Disorder is therefore predicted to be optimal for ionic transport in this and other conductor families with strong Li interaction.

  • Figure
  • Figure
  • Figure
  • Received 26 June 2015

DOI:https://doi.org/10.1103/PhysRevLett.116.055901

© 2016 American Physical Society

Physics Subject Headings (PhySH)

  1. Physical Systems
Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Boris Kozinsky and Sneha A. Akhade

  • Robert Bosch LLC, Research and Technology Center North America, 255 Main St, Cambridge, Massachusetts 02142, USA

Pierre Hirel

  • Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstr. 11, 79108 Freiburg, Germany and Unité Matériaux et Transformations, Bât. C6, Université de Lille 1, 59655 Villeneuve dAscq, France

Adham Hashibon and Christian Elsässer

  • Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstr. 11, 79108 Freiburg, Germany

Prateek Mehta

  • Robert Bosch LLC, Research and Technology Center North America, 255 Main St, Cambridge, Massachusetts 02142, USA

Alan Logeat and Ulrich Eisele

  • Robert Bosch GmbH, Corporate Sector Research and Advance Engineering, Robert-Bosch-Platz 1, 70839 Gerlingen-Schillerhöhe, Germany

Article Text (Subscription Required)

Click to Expand

Supplemental Material (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 116, Iss. 5 — 5 February 2016

Reuse & Permissions
Access Options
CHORUS

Article Available via CHORUS

Download Accepted Manuscript
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×