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We study the physical properties of Zn$X$ ($X$=O, S, Se, Te) and Cd$X$($X$=O, S, Se, Te) in the zinc-blende, rock-salt, and wurtzite structures usingthe recently developed fully $ab$ $initio$ pseudo-hybrid Hubbard densityfunctional ACBN0. We find that both the electronic and vibrational propertiesof these wide-band gap semiconductors are systematically improved over the PBEvalues and reproduce closely the experimental measurements. Similar accuracy isfound for the structural parameters, especially the bulk modulus. ACBN0 resultscompare well with hybrid functional calculations at a fraction of thecomputational cost.

Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: a validation of the ACBN0 functional