Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics
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DOI: 10.1021/acs.chemmater.7b04496
Abstract: Electronic band structure contains a wealth of information on the electronic properties of a solid and is routinely computed. However, the more difficult problem of designing a solid with a desired band structure is an… read more here.
Keywords: structure design; materials database; inverse band; structure ... See more keywords