Extended Data Fig. 7: Se contributions in the ARPES data of PdSe2.
From: Dark states of electrons in a quantum system with two pairs of sublattices

a,b, Crystal structure of PdSe2 illustrated by the ball-and-stick model and viewed from the top (a) and the side (b). The 8 Se atoms in the primitive cell are labelled A1–D1 and A2–D2. c,d, ARPES data of PdSe2, taken by the s-polarised light of 87 eV (kz = Γ6) at the scattering plane of xz (c) and yz (d), and plotted at E = –0.4 eV as a function of kx and ky. e,f, Part of constant-energy maps marked in c,d by red squares and shown in the extremely narrow colour scale. g,h, ARPES data of PdSe2 shown in ky (g) and kx (h) along the grey dotted lines in e,f, respectively. i,j, Relative phases of ϕA1C1/B1D1 (i) and ϕA1B1/C1D1 (j) obtained from tight-binding models and shown at kz = Γ2n for the same area as in e,f (ϕA1C1/B1D1 = ϕC2A2/D2B2, ϕA1B1/C1D1 = ϕA2B2/C2D2). The colour scale in units of radian is given at the bottom. k-n, Corresponding simulations of constant-energy maps (k,l) and band dispersions (m,n) with relative phases in i,j and sublattice interference. There is overall little ARPES intensity on the valence band of PdSe2 taken by s-polarised light in c,d. However, if narrowing down the intensity scale for the area marked by the red square, we found there is a remnant feature with the intensity pattern that vanishes at ky = 0 along the kx axis in e and at kx = 0 along the ky axis in f. Even these characteristic intensity patterns can be reproduced well by ARPES simulations based on the model of quantum interference between 8 Se atoms (see Methods), as shown in k-n.