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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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Fig 3. Three kinds of SOC splitting with the spin orientation
Calculation result of lattice constant, buckling distance, and buckling...
Character table of C2v group
Prediction of Rashba Effect on Two-dimensional MX Monochalcogenides (M = Ge, Sn and X = S, Se, Te) with Buckled Square Lattice
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  • Apr 2020
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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