Intrinsic energy band alignment of functional oxides (pages 571–576)
Shunyi Li, Feng Chen, Robert Schafranek, Thorsten J. M. Bayer, Karsten Rachut, Anne Fuchs, Sebastian Siol, Mirko Weidner, Mareike Hohmann, Verena Pfeifer, Jan Morasch, Cosmina Ghinea, Emmanuel Arveux, Richard Günzler, Jürgen Gassmann, Christoph Körber, Yvonne Gassenbauer, Frank Säuberlich, Gutlapalli Venkata Rao, Sandrine Payan, Mario Maglione, Cristina Chirila, Lucian Pintilie, Lichao Jia, Klaus Ellmer, Michael Naderer, Klaus Reichmann, Ulrich Böttger, Sebastian Schmelzer, Raluca C. Frunza, Hana Uršič, Barbara Malič, Wen-Bin Wu, Paul Erhart and Andreas Klein
Version of Record online: 5 MAR 2014 | DOI: 10.1002/pssr.201409034
Part of Focus Issue on “Functional Oxides” (Eds.: T. Frauenheim, J. M. Knaup, P. Broqvist, S. Ramanathan)
In this Letter, the intrinsic energy band alignment of a wide range of functional oxides has been studied systematically. The transitive nature and its correlation with orbital contributions provide a fundamental understanding as well as a rational guideline for predicting intrinsic band alignment between oxides.