High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses
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DOI: 10.1038/s41524-020-0337-2
Abstract: Many technological applications depend on the response of materials to electric fields, but available databases of such responses are limited. Here, we explore the infrared, piezoelectric, and dielectric properties of inorganic materials by combining high-throughput… read more here.
Keywords: density functional; piezoelectric dielectric; functional perturbation; throughput density ... See more keywords