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We show that the middle-range exchange-correlation hybrid of Henderson,Izmaylov, Scuseria and Savin (HISS) performs extremely well for elemental andbinary semiconductors with narrow or visible spectrum band gaps, as well assome wider gap or more ionic systems used commercially. The lattice parametersare superior to those predicted by the screened hybrid functional of Heyd,Scuseria and Ernzerhof (HSE), and provide a significant improvement overgeometries predicted by semilocal functionals. HISS also yields band gapssuperior to those produced by functionals developed specifically for the solidstate. Timings indicate that HISS is more computationally efficient than HSE,implying that the high quality lattice constants coupled with improved opticalband gap predictions render HISS a useful adjunct to HSE in the modeling ofgeometry-sensitive semiconductors.

Improved Semiconductor Lattice Parameters and Band Gaps from a Middle-Range Screened Hybrid Functional