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Calculation result of lattice constant, buckling distance, and buckling angle

Calculation result of lattice constant, buckling distance, and buckling angle

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The Rashba splitting are found in the buckled square lattice. Here, by applying fully relativistic density-functional theory (DFT) calculation, we confirm the existence of the Rashba splitting in the conduction band minimum of various two-dimensional MX monochalcogenides (M = Ge, Sn and X = S, Se, Te) exhibiting a pair inplane Rashba rotation of th...

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... optimized structure and the related parameters, are summarized in Table 1 and have good agreement with previous report [9]. The PbS and PbSe calculations have been presented to confirm the computational results with previously reported data [8]. ...

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