Effects of La 5 d and 4 f states on the electronic and optical properties of LaAlO 3

Effects of La 5d and 4 f states on the electronic and optical properties of LaAlO3 Jimmy-Xuan Shen,1,* André Schleife,2,3 Anderson Janotti,4,† and Chris G. Van de Walle4 1Department of Physics, University of California, Santa Barbara, California 93106-9530, USA 2Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, California 94550, USA 3Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA 4Materials Department, University of California, Santa Barbara, California 93106-5050, USA (Received 11 May 2015; revised manuscript received 1 August 2016; published 22 November 2016)