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arXiv · 1602.05054

N-Type Oxide Thermoelectrics Via Visual Search Strategies

Guangzong Xing·Jifeng Sun·Khuong P. Ong·Xiaofeng Fan·Weitao Zheng·David J. Singh
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Abstract

We discuss and present search strategies for finding new thermoelectric compositions based on first principles electronic structure and transport calculations. We illustrate them by application to a search for potential n-type oxide thermoelectric materials. This includes a screen based on visualization of electronic energy isosurfaces. We report compounds that show potential as thermoelectric materials along with detailed properties, including SrTiO3, which is a known thermoelectric, and appropriately doped KNbO3 and rutile TiO2.

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Guangzong Xing, Jifeng Sun, Khuong P. Ong, Xiaofeng Fan, Weitao Zheng, David J. Singh. 2016-02-16. N-Type Oxide Thermoelectrics Via Visual Search Strategies. https://doi.org/10.1063/1.4941711

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