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cond-mat.mtrl-sci2015
First principles investigation of the strain-mode coupling in srbi2nb2o9
Urko Petralanda, I. Etxebarria
The Aurivillius compounds SrBi2Nb2O9 (SBN) and SrBi2Ta2O9 (SBT) present at room temperature isomorphous ferroelectric structures that are stabilized by a complex interplay of three…
cond-mat.mtrl-sci2015
Structural instabilities and sequence of phase transitions in SrBiTaO and SrBiNbO from first principles and Monte Carlo simulations
Urko Petralanda, I. Etxebarria
Despite their structural similarities, SrBiTaO (SBT) and SrBiNbO (SBN) undergo a different sequence of phase transitions. The phase diagram of SBT as a func…