Band gap anomaly and topological properties in lead chalcogenides

Nie Simin¹, Xu Xiao Yan¹, Xu Gang^{1, †,}, Fang Zhong^{1, 2}

(a) Band structures of PbPo calculated by HSE03+SOC. The size of the blue circles represents the weight of the projected p orbitals of Pb. Parity information for the top of the valence band and the bottom of the conduct band at L point has been given. The inset shows the top of the valence band and the bottom of the conduction band of PbPo. (b) and (c) The calculated surface states of PbPo on (111) and (001) planes.