2 papers
cond-mat.mtrl-sci2020
Optical spectra of rare-earth nickelates
Jordan Bieder, Alain Mercy, Wen-Yi Ton +1
Based on the electronic band structure obtained from first principles DFT calculations, the opticalspectra of yttrium and neodymium nickelates are computed. We show that the result…
cond-mat.mtrl-sci2020
Bi2W2O9: a potentially antiferroelectric Aurivillius phase
Hania Djani, Emma. E. McCabe, W. Zhang +5
Ferroelectric tungsten-based Aurivillius oxides are naturally stable superlattice structures, in which A-site deficient perovskite blocks [WnO3n+1]-2 (n = 1, 2, 3, ...) interleave…