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cond-mat.str-el2019
Osmates on the verge of a Hund's-Mott transition: The different fates of NaOsO and LiOsO
Daniel Springer, Bongjae Kim, Peitao Liu +6
We clarify the origin of the strikingly different spectroscopic properties of the chemically similar compounds NaOsO and LiOsO. Our first-principle many-body analysis demon…
cond-mat.mtrl-sci2019
Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO
Peitao Liu, Cesare Franchini, Martijn Marsman +1
Recently, two nonempirical hybrid functionals, dielectric-dependent range-separated hybrid functional based on the Coulomb-attenuating method (DD-RSH-CAM) and doubly screened hybri…