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Prediction of Room-Temperature Electric Field Reversal of Magnetization in the Family of A4B3O9 Layered Oxides (2025)
Journal Article
Dey, U., McCabe, E. E., Íñiguez-González, J., & Bristowe, N. C. (in press). Prediction of Room-Temperature Electric Field Reversal of Magnetization in the Family of A4B3O9 Layered Oxides. Physical Review Letters,

The promise of a strong magnetoelectric (ME) coupling in a multiferroic (MF) material is not only of fundamental interest, but also forms the basis of next generation memory devices where the direction of magnetization can be reversed by an external... Read More about Prediction of Room-Temperature Electric Field Reversal of Magnetization in the Family of A4B3O9 Layered Oxides.

Weyl fermion excitations in the ideal Weyl semimetal CuTlSe2 (2024)
Journal Article
Wang, C. N., Tay, D., Dong, Q. X., Okvátovity, Z., Huddart, B. M., Ma, C. Y., Yokoyama, K., Yu, L., Lancaster, T., Chen, G. F., Ott, H.-R., & Shiroka, T. (2024). Weyl fermion excitations in the ideal Weyl semimetal CuTlSe2. Physical Review Research, 6(3), Article 033229. https://doi.org/10.1103/physrevresearch.6.033229

An ideal Weyl semimetal is characterized by a dispersion in which only Weyl cones intersect the Fermi level, with low-energy behavior being governed by Weyl fermions. Although ideal Weyl semimetals have long been anticipated, only a few are realized... Read More about Weyl fermion excitations in the ideal Weyl semimetal CuTlSe2.

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. (2024). Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn2O6. Journal of Materials Chemistry C Materials for optical and electronic devices, 12(37), 15058-15069. 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.

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.

Depth-dependent magnetic crossover in a room-temperature skyrmion-hosting multilayer (2024)
Journal Article
Hicken, T. J., Wilson, M. N., Salman, Z., Zhang, S. L., Holt, S. J. R., Prokscha, T., Suter, A., Pratt, F. L., van der Laan, G., Hesjedal, T., & Lancaster, T. (2024). Depth-dependent magnetic crossover in a room-temperature skyrmion-hosting multilayer. Physical Review B, 109(13), Article 134423. https://doi.org/10.1103/physrevb.109.134423

Skyrmion-hosting multilayer stacks are promising avenues for applications, although little is known about the depth dependence of the magnetism. We address this by reporting the results of circular dichroic resonant elastic x-ray scattering (CD-REXS)... Read More about Depth-dependent magnetic crossover in a room-temperature skyrmion-hosting multilayer.

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.

Muon-spin relaxation investigation of magnetic bistability in a crystalline organic radical compound (2023)
Journal Article
Hernández-Melían, A., Huddart, B., Pratt, F., Blundell, S., Mills, M., Young, H., Preuss, K., & Lancaster, T. (2023). Muon-spin relaxation investigation of magnetic bistability in a crystalline organic radical compound. Journal of Physics and Chemistry of Solids, 181, https://doi.org/10.1016/j.jpcs.2023.111493

We present the results of a muon-spin relaxation (𝜇+SR) investigation of the crystalline organic radicalcompound 4-(2-benzimidazolyl)-1,2,3,5-dithiadiazolyl (HbimDTDA), in which we demonstrate the hystereticmagnetic switching of the system that takes... Read More about Muon-spin relaxation investigation of magnetic bistability in a crystalline organic radical compound.

Many-body quantum muon effects and quadrupolar coupling in solids (2023)
Journal Article
Gomilšek, M., Pratt, F. L., Cottrell, S. P., Clark, S. J., & Lancaster, T. (2023). Many-body quantum muon effects and quadrupolar coupling in solids. Communications Physics, 6(1), https://doi.org/10.1038/s42005-023-01260-7

Strong quantum zero-point motion (ZPM) of light nuclei and other particles is a crucial aspect of many state-of-the-art quantum materials. However, it has only recently begun to be explored from an ab initio perspective, through several competing app... Read More about Many-body quantum muon effects and quadrupolar coupling in solids.

Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory (2023)
Journal Article
Talmantaite, A., Xie, Y., Cohen, A., Mohapatra, P., Ismach, A., Mizoguchi, T., Clark, S., & Mendis, B. (2023). Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory. Physical Review B, 107(23), Article 235424. https://doi.org/10.1103/physrevb.107.235424

Exotic properties emerge from the electronic structure of few-layer transition-metal dichalcogenides (TMDs), such as direct band gaps in monolayers and moiré excitons in twisted bilayers, which are exploited in modern optoelectronic devices and twist... Read More about Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory.

Balanced Energy Gaps as a Key Design Rule for Solution‐Phase Organic Room Temperature Phosphorescence (2023)
Journal Article
Paredis, S., Cardeynaels, T., Kuila, S., Deckers, J., Van Landeghem, M., Vandewal, K., Danos, A., Monkman, A. P., Champagne, B., & Maes, W. (2023). Balanced Energy Gaps as a Key Design Rule for Solution‐Phase Organic Room Temperature Phosphorescence. Chemistry - A European Journal, 29(42), Article e202301369. https://doi.org/10.1002/chem.202301369

Metal-free organic emitters that display solution-phase room temperature phosphorescence (sRTP) remain exceedingly rare. Here, we investigate the structural and photophysical properties that support sRTP by comparing a recently reported sRTP compound... Read More about Balanced Energy Gaps as a Key Design Rule for Solution‐Phase Organic Room Temperature Phosphorescence.

DFT + μ: Density functional theory for muon site determination (2023)
Journal Article
Blundell, S., & Lancaster, T. (2023). DFT + μ: Density functional theory for muon site determination. Applied Physics Reviews, 10(2), Article 021316. https://doi.org/10.1063/5.0149080

The technique of muon spin rotation (μSR) has emerged in the last few decades as one of the most powerful methods of obtaining local magnetic information. To make the technique fully quantitative, it is necessary to have an accurate estimate of where... Read More about DFT + μ: Density functional theory for muon site determination.

Bubble Formation in Magma (2023)
Journal Article
Gardner, J. E., Wadsworth, F. B., Carley, T. L., Llewellin, E. W., Kusumaatmaja, H., & Sahagian, D. (2023). Bubble Formation in Magma. Annual Review of Earth and Planetary Sciences, 51(1), 131-154. https://doi.org/10.1146/annurev-earth-031621-080308

Volcanic eruptions are driven by bubbles that form when volatile species exsolve from magma. The conditions under which bubbles form depend mainly on magma composition, volatile concentration, presence of crystals, and magma decompression rate. These... Read More about Bubble Formation in Magma.

Azaborine as a Versatile Weak Donor for Thermally Activated Delayed Fluorescence (2023)
Journal Article
Sudhakar, P., Kuila, S., Stavrou, K., Danos, A., Slawin, A. M., Monkman, A., & Zysman-Colman, E. (2023). Azaborine as a Versatile Weak Donor for Thermally Activated Delayed Fluorescence. ACS Applied Materials and Interfaces, 15(21), 25806-25818. https://doi.org/10.1021/acsami.3c05409

Extensive research has been devoted to the development of thermally activated delayed fluorescence emitters, especially those showing pure-blue emission for use in lighting and fullcolor display applications. Towards that goal, herein we report a nov... Read More about Azaborine as a Versatile Weak Donor for Thermally Activated Delayed Fluorescence.

A “Phase Scrambling” Algorithm for Parallel Multislice Simulation of Multiple Phonon and Plasmon Scattering Configurations (2023)
Journal Article
Mendis, B. G. (2023). A “Phase Scrambling” Algorithm for Parallel Multislice Simulation of Multiple Phonon and Plasmon Scattering Configurations. Microscopy and Microanalysis, 29(3), 1111-1123. https://doi.org/10.1093/micmic/ozad052

Multislice simulations of 4D scanning transmission electron microscopy (4D STEM) data are computationally demanding due to the large number of STEM probe positions that must be calculated. For accurate analysis, inelastic scattering from phonons and... Read More about A “Phase Scrambling” Algorithm for Parallel Multislice Simulation of Multiple Phonon and Plasmon Scattering Configurations.