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Search Publications by: Kevin Garrity (Fed)

Displaying 26 - 27 of 27

High-throughput first principles search for new ferroelectrics

January 31, 2018

Author(s)

Kevin F. Garrity

We use a combination of symmetry analysis and high-throughput density functional theory calculations to search for new ferroelectric materials. We use two search strategies to identify candidate materials. In the first strategy, we start with non-polar

First principles search for n-type oxide thermoelectrics

July 15, 2016

Author(s)

Kevin F. Garrity

Oxides have many potentially desirable characteristics for thermoelectric materials, including low cost and stability at high temperatures, but thus far there are few known high zT n-type oxide thermoelectrics. In this work, we use high-throughput first

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