Toward accurate electronic, optical, and vibrational properties of hexagonal Si, Ge, and Si1−xGex alloys from first-principle simulations
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DOI: 10.1063/5.0043773
Abstract: A new hexagonal phase of Si1−xGex alloys have been successfully synthesized through efforts in recent reports. Utilizing the combined first-principle calculations and special quasi-random model, we precisely investigated the structural, electronic, optical, and vibrational properties… read more here.
Keywords: first principle; si1 xgex; hexagonal si1; xgex alloys ... See more keywords