Correlation Effects on Lattice Relaxation and Electronic Structure of ZnO within the GGA+U Formalism

The Journal of Physical Chemistry C

DOI: 10.1021/jp407281x

Xinguo Ma, Ying Wu, Yanhui Lv and Yongfa Zhu

Click for full article

Structure of an Amorphous Boron Carbide Film: An Experimental and Computational Approach

Chemistry of Materials

DOI: 10.1021/cm400847t

Camille Pallier, Jean-Marc Leyssale, Lionel A. Truflandier, Anh Thy Bui, Patrick Weisbecker, Christel Gervais, Henry E. Fischer, Fausto Sirotti, Francis Teyssandier and Georges Chollon

Click for full article