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. 2016 Feb 2;6:20152. doi: 10.1038/srep20152

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(a) The evolution of atomic s and p_x,y orbitals of PbH into band edges at Γ point is described as the crystal field splitting and SOC are switched in sequence. (b) Illustration of the effect of SOC on the inversion of bands around the Fermi level. (c) The calculated global band gap by PBE and HSE methods, and (d) the ratio of Pb-p_x,y component in the total orbital at Γ point near the Fermi level.