Fig. 8: Paramagnetic DFT+DMFT spectral data for the out-of-plane heterostructures.
From: From basic properties to the Mott design of correlated delafossites
a–c Pd2/3Ag1/3CrO2, d–f Pd1/2Ag1/2CrO2 and g–i Pd1/3Ag2/3CrO2. a, d, g Spectral function A(k, ω) along high-symmetry lines in the kz = 0 plane of reciprocal space (left) and k-integrated site- and orbital-projected spectral function (right). b, e, h Fermi surface for kz = 0 within the first Brillouin zone (green hexagon). c, f, i k-integrated Bloch contribution Aν(ω) with characterization of dominance. From Ref. 72. j Schematic resulting room-temperature metallicity with respect to the DFT filling factor α of the Cr-t2g bands. Blue: metal PdCrO2, red: band-Mott insulator AgCrO2, and lightblue: CIS Pd2/3Ag1/3CrO2, Pd1/2Ag1/2CrO2 and Pd1/3Ag2/3CrO2 (from left to right).
