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PbPdO$_2$, a ternary compound containing the lone-pair active ion Pb$^{2+}$and the square-planar d$^8$ Pd$^{2+}$ ion, has attracted recent interestbecause of the suggestion that its electronic structure, calculated withindensity functional theory using either the local density or the generalizedgradient approximations, displays zero-gap behavior. In light of the potentialease of doping magnetic ions in this structure, it has been suggested that theintroduction of spin, in conjunction with zero band gap, can result in unusualmagnetic ground states and unusual magnetotransport. It is known that mostelectronic structure calculations do not properly obtain a band gap even forthe simple oxide PdO, and instead obtain a metal or a zero-gap semiconductor.Here we present density functional calculations employing a screened hybridfunctional (HSE) which correctly obtain a band gap for the electronic structureof PdO. When employed to calculate the electronic ground state of PbPdO$_2$, aband gap is again obtained, which is consistent both with the experimental dataon this compound, as well as a consideration of valence states and ofmetal-oxygen connectivity in the crystal structure. We also present comparisonsof the absolute positions (relative to the vacuum level) of the conduction bandminima and the valence band maxima in {\alpha}-PbO, PdO and PbPdO$_2$, whichsuggest ease of $p$-type doping in PbPdO$_2$ that has been observed even innominally pure materials.

Hybrid functional electronic structure of PbPdO$_2$, a small-gap semiconductor