J. Shenton

activity

20172021

most citedEffects of the Hubbard U on density functional-based predictions of BiFeO

_{3}

properties

40 citations · 86 across the 4 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

4 papers · 1 filter

cond-mat.mtrl-sci2021★ 5 cited

A re-examination of antiferroelectric PbZrO $_{3}$ and PbHfO $_{3}$ : an 80-atom $P nam$ structure

J. S. Baker, M. Paściak, J. K. Shenton +8

First principles density functional theory (DFT) simulations of antiferroelectric (AFE) PbZrO $_{3}$ and PbHfO $_{3}$ reveal a dynamical instability in the phonon spectra of their purpor…

cond-mat.mtrl-sci2019★ 23 cited

Observation of a charge-neutral muon-polaron complex in antiferromagnetic Cr $_{2}$ O $_{3}$

M. H. Dehn, J. K. Shenton, S. Holenstein +13

We report a comprehensive muon spin rotation ( $μ$ SR) study of the prototypical magnetoelectric antiferromagnet Cr $_{2}$ O $_{3}$ . We find the positively charged muon ( $μ^{+}$ ) occupies sev…

cond-mat.mtrl-sci2018★ 18 cited

Influence of crystal structure on charge carrier effective masses in BiFeO $_{3}$

J. Kane Shenton, David R. Bowler, Wei Li Cheah

Ferroelectric-based photovoltaics have shown great promise as a source of renewable energy, thanks to their in-built charge separation capability, yet their efficiency is often lim…

cond-mat.mtrl-sci2017★ 40 cited

Effects of the Hubbard U on density functional-based predictions of BiFeO $_{3}$ properties

J. Kane Shenton, Wei Li Cheah, David R. Bowler

First principles studies of multiferroic materials, such as bismuth ferrite (BFO), require methods that extend beyond standard density functional theory (DFT). The DFT+U method is…

A re-examination of antiferroelectric PbZrO3​ and PbHfO3​: an 80-atom Pnam structure

Observation of a charge-neutral muon-polaron complex in antiferromagnetic Cr2​O3​

Influence of crystal structure on charge carrier effective masses in BiFeO3​

Effects of the Hubbard U on density functional-based predictions of BiFeO3​ properties

A re-examination of antiferroelectric PbZrO $_{3}$ and PbHfO $_{3}$ : an 80-atom $P nam$ structure

Observation of a charge-neutral muon-polaron complex in antiferromagnetic Cr $_{2}$ O $_{3}$

Influence of crystal structure on charge carrier effective masses in BiFeO $_{3}$

Effects of the Hubbard U on density functional-based predictions of BiFeO $_{3}$ properties