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

Priya Gopal,1,2 Marco Fornari,1,2,* Stefano Curtarolo,2,3 Luis A. Agapito,2,4 Laalitha S. I. Liyanage,2,4 and Marco Buongiorno Nardelli2,4,† 1Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, USA 2Center for Materials Genomics, Duke University, Durham, North Carolina 27708, USA 3Materials Science, Electrical Engineering, Physics and Chemistry, Duke University, Durham, North Carolina 27708, USA 4Department of Physics, University of North Texas, Denton, Texas 76203, USA (Received 26 February 2015; revised manuscript received 1 May 2015; published 4 June 2015)