N-Type Oxide Thermoelectrics Via Visual Search Strategies
classification
❄️ cond-mat.mtrl-sci
keywords
thermoelectricsearchelectronicmaterialsn-typeoxidepotentialstrategies
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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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