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

Joshua A. Kurzman, Mao-Sheng Miao, Ram Seshadri

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 interest because of the suggestion that…