Publication - Journal Article First-principles calculations of the electronic structure, phase transition and properties of ZrSiO4 polymorphs DOI https://doi.org/10.1016/j.comptc.2011.03.033 Journal Article Computational and Theoretical Chemistry, vol. 987, pp. 62-70, 2012 Authors Jincheng Du, Ram Devanathan, L. René Corrales, William J. Weber Language English