568 citations · 2.2k across the 37 of their papers we have counts for
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cond-mat.mtrl-sci2013★ 130 cited
Competition and cooperation between antiferrodistortive and ferroelectric instabilities in SrTiO
Ulrich Aschauer, Nicola A. Spaldin
We use density functional theory to explore the interplay between octahedral rotations and ferroelectricity in the model compound SrTiO. We find that over the experimentally re…
cond-mat.mtrl-sci2013★ 420 cited
Strain controlled oxygen vacancy formation and ordering in CaMnO
Ulrich Aschauer, Reto Pfenninger, Sverre M. Selbach +2
We use first-principles calculations to investigate the stability of bi-axially strained \textit{Pnma} perovskite CaMnO towards the formation of oxygen vacancies. Our motivatio…