Fig. 5: Electronic band structures and topological features of bulk and single-layer (1 L) InPd5I2. | npj 2D Materials and Applications

Fig. 5: Electronic band structures and topological features of bulk and single-layer (1 L) InPd5I2.

From: Design and predict tetragonal van der Waals layered quantum materials of MPd5I2 (M=Ga, In and 3d transition metals)

Fig. 5

a Band structure of bulk InPd5I2 with the highest valence band (N) and band below (N-2) shown in red and blue, respectively. b Bands zoomed in along \(\varGamma\)-Z around the Dirac point (DP) between the highest valence and lowest conduction band. The green (gray) shade is for I pz (Pd dxz and dyz) orbital. c Wilson loop of Wannier charge center (WCC) on the kz = 0.5 plane between band N–2 and N. d Surface spectral function along \(\bar{X}\)-\(\bar{\varGamma }\)-\(\bar{M}\) on (001). e (001) 2D surface Fermi surface at Fermi energy (EF) with spin-texture shown in orange arrows. f Band structure of 1 L InPd5I2 with the highest valence band (N) and band below (N-2) shown in red and blue, respectively. g Wilson loop of WCC between band N and N + 2. h Wilson loop between band N–2 and N. i Edge spectral functions along \(\bar{X}\)-\(\bar{\varGamma }\)-\(\bar{X}\) on InPd- and j PdI-terminations.

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