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cond-mat.mtrl-sci2008★ 12 cited
Temperature-driven phase transitions in SrBiTaO from first-principles calculations
R. Machado, M. Sepliarsky, M. G. Stachiotti
The phase transition sequence of SrBiTaO is investigated using a shell model with parameters fitted to first-principles calculations. We show that the complex interplay…
cond-mat.mtrl-sci2006
Interface effects in ferroelectric PbTiO ultrathin films on a paraelectric substrate
M Sepliarsky, M. G. Stachiotti, R. L. Migoni
Interface effects on the ferroelectric behavior of PbTiO ultrathin films deposited on SrTiO substrate are investigated using an interatomic potential approach with paramete…