Z.T.Y. Liu

First-principles investigation of the structural, mechanical and electronic properties of the NbO-structured 3d, 4d and 5d transition metal nitrides

Z.T.Y. Liu, Xiuquan Zhou, Daniel Gall et al. · Computational Materials Science · 2014 · 93 citations

Materials Science, Materials Engineering, Engineering +7

Electronic and optical properties of vanadium oxides from first principles

Nathan J. Szymanski, Z.T.Y. Liu, T. Alderson et al. · Computational Materials Science · 2018 · 70 citations

Materials Science, Transition Metal Chalcogenides, Optical Materials +9

First-principles study of mechanical and magnetic properties of transition metal (M) nitrides in the cubic M4N structure

V. Adhikari, Z.T.Y. Liu, Nathan J. Szymanski et al. · Journal of Physics and Chemistry of Solids · 2018 · 50 citations

Materials Science, Magnetism, Magnetic Properties +9

Transparency enhancement for SrVO3 by SrTiO3 mixing: A first-principles study

Z.T.Y. Liu, Nikolas J. Podraza, S. V. Khare et al. · Computational Materials Science · 2017 · 18 citations

Materials Science, Optical Materials, Engineering +4

First-principles phase diagram calculations for the carbonate quasibinary systems CaCO3-ZnCO3, CdCO3-ZnCO3, CaCO3-CdCO3 and MgCO3-ZnCO3

Z.T.Y. Liu, Benjamin P. Burton, S. V. Khare et al. · Chemical Geology · 2016 · 16 citations

Materials Science, Inorganic Chemistry, Crystal Structure +9