Asymmetric-dimer reconstruction and semiconducting properties of Mg2Si(100) surfaces: Prediction from meta-GGA and hybrid functional study
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DOI: 10.1016/j.solidstatesciences.2019.106030
Abstract: Abstract Mg2Si is an important semiconducting silicide material with promising applications in optoelectronics, thermoelectrics, and photovoltaics. Mg2Si(001)-(1 × 1) surfaces have been suggested to be metallic from density functional (DFT) studies performed within local density (LDA) and… read more here.
Keywords: reconstruction; mg2si 100; hybrid functional; meta gga ... See more keywords