Accessibility navigation


Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC

Mellan, T. A., Aziz, A., Xia, Y., Grau-Crespo, R. and Duff, A. I. (2019) Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC. Physical Review B, 99. 094310. ISSN 2469-4489

[img]
Preview
Text - Accepted Version
· Please see our End User Agreement before downloading.

5MB

It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing.

To link to this item DOI: 10.1103/PhysRevB.99.094310

Abstract/Summary

We have simulated the ultrahigh-temperature ceramic zirconium carbide (ZrC) in order to predict electron and phonon scattering properties, including lifetimes and transport. Our predictions of heat and charge conductivity, which extend to 3000 K, are relevant to extreme-temperature applications of ZrC. Mechanisms are identified on a first-principles basis that considerably enhance or suppress heat transport at high temperature, including strain, anharmonic phonon renormalization, and four-phonon scattering. The extent to which boundary confinement and isotope scattering effects lower thermal conductivity is predicted.

Item Type:Article
Refereed:Yes
Divisions:Faculty of Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:83012
Uncontrolled Keywords:electron-phonon; zirconium carbide; anharmonicity
Publisher:APS Physics

Downloads

Downloads per month over past year

University Staff: Request a correction | Centaur Editors: Update this record

Page navigation