Hybrid-Functional and Quasi-Particle Calculations of Band Structures of Mg2Si, Mg2Ge, and Mg2Sn

We perform hybrid functional and quasi-particle band structure calculations with spin-orbit interaction to investigate the band structures of Mg 2 Si, Mg 2 Ge, and Mg 2 Sn. For all Mg 2 X materials, where X = Si, Ge, and Sn, the characteristics of band edge states, i.e. , band and valley degeneracie...

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