|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Alloys and Compounds for Thermoelectric and Solar Cell Applications VI
||Prediction of Thermoelectric Transport Properties in Layered Complex Nitrides
||Isao Ohkubo, Takao Mori
|On-Site Speaker (Planned)
Layered compounds have several properties that make them suitable as high-performance thermoelectric materials. There are several layered complex nitrides, however they remain quite underdeveloped. Recently, we have predicted the thermoelectric transport properties of layered complex nitrides, AMN2 (A, M = cations). Density-functional theory and Boltzmann theory calculations were performed to evaluate the electronic structures and electronic transport coefficients of nine different types of AMN2 compounds. The electronic structures and electronic transport properties of KCoO2-type AMN2 were highly anisotropic, indicating two-dimensional electronic structures. In contrast, α-NaFeO2-type AMN2 compounds show three-dimensional electronic structures and less anisotropic electronic transport properties despite the layered crystal structure. Delafossite-type AMN2 have the potential to be p-type semiconductors. Origins of the anisotropic thermoelectric transport properties in the AMN2 compounds will be discussed.
||Planned: Supplemental Proceedings volume