ab initio Energetics and Thermoelectric Profiles of Gallium Pnictide Polytypes
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DOI: 10.1038/s41598-019-41982-9
Abstract: The state-of-the-art Density Functional Theory (DFT) is utilized to investigate the structural, electronic, vibrational, thermal and thermoelectric properties of gallium pnictides GaX (X = P, As, Sb) in cubic zincblende (ZB) and hexagonal wurtzite (WZ) phases. The… read more here.
Keywords: thermoelectric properties; phase; figure merit; initio energetics ... See more keywords