Unraveling the dominant phonon scattering mechanism in the thermoelectric compound ZrNiSn
Abstract
Ab initio calculations reveal that Ni/vacancy antisites, and not Sn/Zr antisites, are the dominant defects which affect thermal transport in the half-Heusler compound ZrNiSn.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2016
- Source ID
- 10.1039/c6ta05868j
Entities
People
- Ankita Katre
- Jesús Carrete
- Natalio Mingo
Organizations
- Agence Nationale de la Recherche
- United States Air Force