|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, AMN<SUB>2</SUB> (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 AMN<SUB>2</SUB> compounds. The electronic structures and electronic transport properties of KCoO<SUB>2</SUB>-type AMN<SUB>2</SUB> were highly anisotropic, indicating two-dimensional electronic structures. In contrast, α-NaFeO<SUB>2</SUB>-type AMN<SUB>2</SUB> compounds show three-dimensional electronic structures and less anisotropic electronic transport properties despite the layered crystal structure. Delafossite-type AMN<SUB>2</SUB> have the potential to be p-type semiconductors. Origins of the anisotropic thermoelectric transport properties in the AMN<SUB>2</SUB> compounds will be discussed.
||Planned: Supplemental Proceedings volume