Outputs (50)

Universal Polar Instability in Highly Orthorhombic Perovskites (2024)
Journal Article
Scott, C., & Bristowe, N. (2024). Universal Polar Instability in Highly Orthorhombic Perovskites. Journal of the American Chemical Society, 146(43), 29735-29741. https://doi.org/10.1021/jacs.4c11163

The design of novel multiferroic ABO3 perovskites is complicated by the presence of necessary magnetic cations and ubiquitous antiferrodistortive modes, both of which suppress polar distortions. Using first-principles simulations, we observe that the... Read More about Universal Polar Instability in Highly Orthorhombic Perovskites.

Pseudo-proper two-dimensional electron gas formation (2024)
Journal Article
Bennett, D., Aguado-Puente, P., Artacho, E., & Bristowe, N. C. (2024). Pseudo-proper two-dimensional electron gas formation. New Journal of Physics, 26(10), Article 102001. https://doi.org/10.1088/1367-2630/ad8180

In spite of the interest in the two-dimensional electron gases (2DEGs) experimentally found at surfaces and interfaces, important uncertainties remain about the observed insulator–metal transitions (IMTs). Here we show how an explicit pseudo-proper c... Read More about Pseudo-proper two-dimensional electron gas formation.

Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn2O6 (2024)
Journal Article
Simpson, S., Scott, C. A. M., Pomiro, F., Tidey, J. P., Dey, U., Orlandi, F., Manuel, P., Lees, M. R., Hong, Z.-M., Chen, W.-T., Bristowe, N. C., & Senn, M. S. (online). Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn2O6. Journal of Materials Chemistry C Materials for optical and electronic devices, https://doi.org/10.1039/d4tc02743d

Magnetoelectric multiferroics hold great promise for the development of new sustainable memory devices. However, practical applications of many existing multiferroic materials are infeasible due to the weak nature of the coupling between the magnetic... Read More about Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn2O6.

Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn 2 O 6 (2024)
Journal Article
Simpson, S., Scott, C. A. M., Pomiro, F., Tidey, J. P., Dey, U., Orlandi, F., Manuel, P., Lees, M. R., Hong, Z.-M., Chen, W.-T., Bristowe, N. C., & Senn, M. S. (online). Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn 2 O 6. Journal of Materials Chemistry C Materials for optical and electronic devices, https://doi.org/10.1039/d4tc02743d

Magnetoelectric multiferroics hold great promise for the development of new sustainable memory devices. However, practical applications of many existing multiferroic materials are infeasible due to the weak nature of the coupling between the magnetic... Read More about Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn 2 O 6.

Large dynamic scissoring mode displacements coupled to band gap opening in the cubic phase of the methylammonium lead halide perovskites. (2024)
Journal Article
Bird, T. A., Chen, J., Songvilay, M., Stock, C., Wharmby, M. T., Bristowe, N. C., & Senn, M. S. (2024). Large dynamic scissoring mode displacements coupled to band gap opening in the cubic phase of the methylammonium lead halide perovskites. Journal of Physics: Condensed Matter, 36(41), Article 415402. https://doi.org/10.1088/1361-648X/ad5b44

Hybrid perovskites are a rapidly growing research area, having reached photovoltaic power conversion efficiencies of over 25 %. There is a increasing consensus that the structures of these materials, and hence their electronic structures, can not be... Read More about Large dynamic scissoring mode displacements coupled to band gap opening in the cubic phase of the methylammonium lead halide perovskites..

The Interplay of Electronic Configuration and Anion Ordering on the Magnetic Behavior of Hydroxyfluoride Diaspores (2024)
Journal Article
Crawford, C., Hiley, C., Scott, C., Ritter, C., Lees, M., Bristowe, N., …Senn, M. (2024). The Interplay of Electronic Configuration and Anion Ordering on the Magnetic Behavior of Hydroxyfluoride Diaspores. Inorganic Chemistry, 63(20), 9184-9194. https://doi.org/10.1021/acs.inorgchem.4c00679

We report a new nickel hydroxyfluoride diaspore Ni(OH)F prepared using hydrothermal synthesis from NiCl ·6H O and NaF. Magnetic characterization reveals that, contrary to other reported transition-metal hydroxyfluoride diaspores, Ni(OH)F displays wea... Read More about The Interplay of Electronic Configuration and Anion Ordering on the Magnetic Behavior of Hydroxyfluoride Diaspores.

Structural origins of dielectric anomalies in the filled tetragonal tungsten bronze Sr 2 NaNb 5 O 15 (2024)
Journal Article
Tidey, J., Dey, U., Sanchez, A., Chen, W., Chen, B., Chuang, Y., …Senn, M. (2024). Structural origins of dielectric anomalies in the filled tetragonal tungsten bronze Sr 2 NaNb 5 O 15. Communications Materials, 5(1), Article 71. https://doi.org/10.1038/s43246-024-00508-1

The tetragonal tungsten bronze, Sr2NaNb5O15, shows promise for application in high-temperature high-efficiency capacitors vital for the sustainable energy revolution. Previously, the structural complexity of this and related materials has obscured th... Read More about Structural origins of dielectric anomalies in the filled tetragonal tungsten bronze Sr 2 NaNb 5 O 15.

Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides (2024)
Journal Article
Clarke, G., Daisenberger, D., Luo, X., Cheong, S. W., Bristowe, N. C., & Senn, M. S. (2024). Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides. Physical Review B, 109(9), Article 094107. https://doi.org/10.1103/physrevb.109.094107

The temperature-dependent phase transitions in Ruddlesden-Popper oxides with perovskite bilayers have been under increased scrutiny in recent years due to the so-called hybrid improper ferroelectricity that some chemical compositions exhibit. However... Read More about Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides.

First-principles investigation of the magnetoelectric properties of Ba 7 Mn 4 O 15 (2023)
Journal Article
Dey, U., Senn, M. S., & Bristowe, N. (2024). First-principles investigation of the magnetoelectric properties of Ba 7 Mn 4 O 15. Journal of Physics: Condensed Matter, 36(9), Article 095701. https://doi.org/10.1088/1361-648x/ad0d27

Type-II multiferroics, in which the magnetic order breaks inversion symmetry, are appealing for both fundamental and applied research due their intrinsic coupling between magnetic and electrical orders. Using first-principles calculations we study th... Read More about First-principles investigation of the magnetoelectric properties of Ba 7 Mn 4 O 15.

Coupling between tilts and charge carriers at polar-nonpolar perovskite interfaces (2022)
Journal Article
Bennett, D., Aguado-Puente, P., Artacho, E., & Bristowe, N. C. (2022). Coupling between tilts and charge carriers at polar-nonpolar perovskite interfaces. Physical Review B, 106, Article 094106. https://doi.org/10.1103/PhysRevB.106.094106

The phenomenological theory for the polar instability giving rise to a two-dimensional electron gas at perovskite interfaces is hereby extended to include the coupling to perovskite tilts. A Landau theory for homogeneous tilts is first explored, sett... Read More about Coupling between tilts and charge carriers at polar-nonpolar perovskite interfaces.