161 citations · 857 across the 40 of their papers we have counts for
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The Microscopic Structure of Stacking Faults in SrNaNbO
Robin Sjökvist, Yining Xie, Zabeada Aslam +4
Stacking faults and other topological defects in ferroics can have a significant influence on the electronic and mechanical properties of the material. Here, regular stacking fault…
Improper-proper ferroelectric competition as a mechanism for multistate polarisation and ferrielectric-like behaviour
Cameron A. M Scott, Finlay D. Morrison, Nicholas. C. Bristowe
In this paper, we re-explore a simple textbook Landau model describing improper ferroelectricity and show that in the limit where both proper and improper instabilities exist and c…
First principles study of [111]-oriented epitaxially strained Rare-Earth Nickelate NdNiO
Alexander Lione, Jorge Íñiguez-González, Nicholas C. Bristowe
Density functional theory is used to investigate the effect of biaxial strain on the structural, electronic and magnetic properties of [111]-oriented NdNiO, as a representative…
Pressure-induced orbital reordering in NaCuF
Craig I. Hiley, Catriona A. Crawford, Craig L. Bull +5
The high-pressure behaviour of NaCuF is explored by powder neutron diffraction and density functional theory (DFT) calculations. A first-order phase transition is observed…
Goldstone-mediated polar instability in hexagonal barium titanate
S. Simpson, U. Dey, R. J. Sjökvist +5
We discover a rare structural manifestation of the Goldstone paradigm in a hexagonal polytype of the archetypal ferroelectric BaTiO3. First-principles calculations confirm the Gold…
Dielectric softening in the halide double perovskites Au (: Cs, Rb; : Cl, Br, I) via a strain-mediated pseudotriggered mechanism
Urmimala Dey, Jordan A. R. Cowell, Nicholas C. Bristowe
Halide perovskites have emerged as promising candidates for next generation photovoltaic applications, attracting significant attention in recent years. Through first-principles ca…