UNDERSTANDING AND CHARACTERIZING NON-PEIERLS CONTRIBUTIONS TO THE THERMAL CONDUCTIVITY OF CRYSTALLINE INSULATORS- THEORETICAL AND COMPUTATIONAL STUDIES
Abstract
We will apply two different but related approaches. In the first approach, the full quadratic heat current will be decomposed into contributions from individual phonon branches using normal-mode analysis. The dynamics will be studied using the RTA. This will allow us to predict and thereby better understand the contributions of different phonon mode types to both the heat current and the overall conductivity. In the closely related second approach, the total heat current from an equilibrium trajectory will be converted to the normal-mode picture, via the linear transformation between Cartesian and normal coordinates, and then partitioned into the Peierls and non-Peierls terms.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 07, 2023
- Source ID
- FA95502210212
Entities
People
- Andrey Pereverzev
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of Missouri System