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Pressure-Induced Phase Transition and Broadband Light Emission of Lead-Free Double Perovskite Cs2TiBr6 (2025)
Journal Article
Pakornchote, T., Sukmas, W., Chatraphorn, S., Clark, S. J., & Bovornratanaraks, T. (2025). Pressure-Induced Phase Transition and Broadband Light Emission of Lead-Free Double Perovskite Cs2TiBr6. Journal of Alloys and Compounds, 1020, Article 179278. https://doi.org/10.1016/j.jallcom.2025.179278

Lead-free halide double perovskite have been of great scientific attraction for optoelectronics devices. However, exploring a feasible method to enhance their optical abilities remains a considerable challenge. Here, we report the first of the pressu... Read More about Pressure-Induced Phase Transition and Broadband Light Emission of Lead-Free Double Perovskite Cs2TiBr6.

Anisotropic Skyrmion and Multi-q Spin Dynamics in Centrosymmetric Gd2PdSi3 (2025)
Journal Article
Gomilšek, M., Hicken, T., Wilson, M., Franke, K., Huddart, B., Štefančič, A., Holt, S., Balakrishnan, G., Mayoh, D., Birch, M., Moody, S., Luetkens, H., Guguchia, Z., Telling, M., Baker, P., Clark, S., & Lancaster, T. (2025). Anisotropic Skyrmion and Multi-q Spin Dynamics in Centrosymmetric Gd2PdSi3. Physical Review Letters, 134(4), Article 046702. https://doi.org/10.1103/physrevlett.134.046702

Skyrmions are particlelike vortices of magnetization with nontrivial topology, which are usually stabilized by Dzyaloshinskii-Moriya interactions (DMI) in noncentrosymmetric bulk materials. Exceptions are centrosymmetric Gd- and Eu-based skyrmion-lat... Read More about Anisotropic Skyrmion and Multi-q Spin Dynamics in Centrosymmetric Gd2PdSi3.

La₂O₂MQ₂ phases: stability and synthetic challenges (2024)
Journal Article
Hebberd, G. R., Mendis, B., Bowen, L., Clark, S. J., & Mccabe, E. E. (2024). La₂O₂MQ₂ phases: stability and synthetic challenges. Solid State Sciences, 157, Article 107719. https://doi.org/10.1016/j.solidstatesciences.2024.107719

Oxychalcogenides containing transition metal or p block cations have potential for thermoelectric, photocatalytic and magnetic applications but the synthetic pathways to these quaternary phases are not fully understood. This presents a challenge to t... Read More about La₂O₂MQ₂ phases: stability and synthetic challenges.

Non-collinear spin in electronic structure calculations (2023)
Journal Article
Clark, S. J., & Hawkhead, Z. (2023). Non-collinear spin in electronic structure calculations. Contemporary Physics, 64(2), 111-126. https://doi.org/10.1080/00107514.2023.2279810

Non-collinear spin materials are an exciting class of materials that are of great interest from both a fundamental materials science point of view and also with their possible applications in energy-efficient technological devices. Here we introduce... Read More about Non-collinear spin in electronic structure calculations.

Phase transformations and vibrational properties of hybrid organic–inorganic perovskite MAPbI 3 bulk at high pressure (2023)
Journal Article
Ardimas, Pakornchote, T., Sukmas, W., Chatraphorn, S., Clark, S. J., & Bovornratanaraks, T. (2023). Phase transformations and vibrational properties of hybrid organic–inorganic perovskite MAPbI 3 bulk at high pressure. Scientific Reports, 13(1), Article 16854. https://doi.org/10.1038/s41598-023-43020-1

The structural stability and internal properties of hybrid organic–inorganic perovskites (HOIPs) have been widely investigated over the past few years. The interplay between organic cations and inorganic framework is one of the prominent features. He... Read More about Phase transformations and vibrational properties of hybrid organic–inorganic perovskite MAPbI 3 bulk at high pressure.

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.

μSR investigation of magnetism in κ−(ET)2X : Antiferromagnetism (2023)
Journal Article
Huddart, B., Lancaster, T., Blundell, S., Guguchia, Z., Taniguchi, H., Clark, S., & Pratt, F. (2023). μSR investigation of magnetism in κ−(ET)2X : Antiferromagnetism. Physical Review Research, 5(1), Article 013015. https://doi.org/10.1103/physrevresearch.5.013015

We study magnetism in the κ-(ET)2X family of charge-transfer salts using implanted muon spectroscopy in conjunction with detailed ab initio electronic structure calculations using density functional theory (DFT). ET stands for the electron donor mole... Read More about μSR investigation of magnetism in κ−(ET)2X : Antiferromagnetism.

Identification of Graphene Dispersion Agents through Molecular Fingerprints (2022)
Journal Article
Goldie, S. J., Degiacomi, M. T., Jiang, S., Clark, S. J., Erastova, V., & Coleman, K. S. (2022). Identification of Graphene Dispersion Agents through Molecular Fingerprints. ACS Nano, 16(10), https://doi.org/10.1021/acsnano.2c04406

The scalable production and dispersion of 2D materials, like graphene, is critical to enable their use in commercial applications. While liquid exfoliation is commonly used, solvents such as N-methyl-pyrrolidone (NMP) are toxic and difficult to scale... Read More about Identification of Graphene Dispersion Agents through Molecular Fingerprints.

Energy-gap driven low-temperature magnetic and transport properties in Cr1/3MS2(M = Nb, Ta) (2022)
Journal Article
Hicken, T., Hawkhead, Z., Wilson, M., Huddart, B., Hall, A., Balakrishnan, G., Wang, C., Pratt, F., Clark, S., & Lancaster, T. (2022). Energy-gap driven low-temperature magnetic and transport properties in Cr1/3MS2(M = Nb, Ta). Physical Review B, 105(6), Article L060407. https://doi.org/10.1103/physrevb.105.l060407

The helimagnets Cr1/3MS2 (M = Nb or Ta) have attracted renewed attention due to the discovery of a chiral soliton lattice (CSL) stabilized in an applied magnetic field, but reports of unusual low-temperature transport and magnetic properties in this... Read More about Energy-gap driven low-temperature magnetic and transport properties in Cr1/3MS2(M = Nb, Ta).

Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species (2021)
Journal Article
Curley, S., Huddart, B., Kamenskyi, D., Coak, M., Williams, R., Ghannadzadeh, S., Schneider, A., Okubo, S., Sakurai, T., Ohta, H., Tidey, J., Graf, D., Clark, S., Blundell, S., Pratt, F., Telling, M., Lancaster, T., Manson, J., & Goddard, P. (2021). Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species. Physical Review B, 104(21), Article 214435. https://doi.org/10.1103/physrevb.104.214435

We present here a study of the magnetic properties of the antiferromagnetic dimer material CuVOF 4 ( H 2 O ) 6 ⋅ H 2 O , in which the dimer unit is composed of two different S = 1 / 2 species, Cu(II) and V(IV). An applied magnetic field of μ 0 H c 1... Read More about Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species.

Intrinsic nature of spontaneous magnetic fields in superconductors with time-reversal symmetry breaking (2021)
Journal Article
Huddart, B., Onuorah, I., Isah, M., Bonfa, P., Blundell, S., Clark, S., De Renzi, R., & Lancaster, T. (2021). Intrinsic nature of spontaneous magnetic fields in superconductors with time-reversal symmetry breaking. Physical Review Letters, 127(23), Article 237002. https://doi.org/10.1103/physrevlett.127.237002

We present a systematic investigation of muon-stopping states in superconductors that reportedly exhibit spontaneous magnetic fields below their transition temperatures due to time-reversal symmetry breaking. These materials include elemental rhenium... Read More about Intrinsic nature of spontaneous magnetic fields in superconductors with time-reversal symmetry breaking.

Tribological Behavior of Microalloyed Cu50Zr50 Alloy (2021)
Journal Article
Younes, A., De la Flor, S., Clark, S., Nutter, J., Birkett, M., Watson, J., Unthank, M., & Gonzalez, S. (2022). Tribological Behavior of Microalloyed Cu50Zr50 Alloy. Journal of Tribology, 144(2), Article 021706. https://doi.org/10.1115/1.4052363

Promoting the martensitic transformation through optimum microalloying with Fe and/or Mn was observed to be an effective method to enhance the wear resistance of the Cu50Zr50 at% shape memory alloy (SMA). Among all the potential microelements and con... Read More about Tribological Behavior of Microalloyed Cu50Zr50 Alloy.

The metal–insulator phase change in vanadium dioxide and its applications (2021)
Journal Article
Lu, H., Clark, S., Guo, Y., & Robertson, J. (2021). The metal–insulator phase change in vanadium dioxide and its applications. Journal of Applied Physics, 129(24), Article 240902. https://doi.org/10.1063/5.0027674

Vanadium dioxide is an unusual material that undergoes a first-order Metal–Insulator Transition (MIT) at 340 K, attracting considerable interest for its intrinsic properties and its potential applications. However, the nature of MIT has not been full... Read More about The metal–insulator phase change in vanadium dioxide and its applications.

Calculation and interpretation of classical turning surfaces in solids (2021)
Journal Article
Kaplan, A. D., Clark, S. J., Burke, K., & Perdew, J. P. (2021). Calculation and interpretation of classical turning surfaces in solids. npj Computational Materials, 7, Article 25. https://doi.org/10.1038/s41524-020-00479-0

Classical turning surfaces of Kohn–Sham potentials separate classically allowed regions (CARs) from classically forbidden regions (CFRs). They are useful for understanding many chemical properties of molecules but need not exist in solids, where the... Read More about Calculation and interpretation of classical turning surfaces in solids.

Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4 (2021)
Journal Article
Auckett, J. E., Lopez-Odriozola, L., Clark, S. J., & Radosavljevic Evans, I. (2021). Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4. Journal of Materials Chemistry A: materials for energy and sustainability, 9(7), 4091-4102. https://doi.org/10.1039/d0ta07453e

A number of metal oxides that crystallise in the scheelite structure type are known to be excellent oxide ion conductors. Here we report the synthesis of a series of materials with general formula LaNb1−xMoxO4+0.5x (x = 0, 0.08, 0.12, 0.16, 0.20) and... Read More about Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4.

Pressure-Induced Polymerization of Polycyclic Arene–Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Design of Columnar Hydrofluorocarbons (2020)
Journal Article
Friedrich, A., Collings, I. E., Dziubek, K. F., Fanetti, S., Radacki, K., Ruiz-Fuertes, J., Pellicer-Porres, J., Hanfland, M., Sieh, D., Bini, R., Clark, S. J., & Marder, T. B. (2020). Pressure-Induced Polymerization of Polycyclic Arene–Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Design of Columnar Hydrofluorocarbons. Journal of the American Chemical Society, 142(44), 18907-18923. https://doi.org/10.1021/jacs.0c09021

Pressure-induced polymerization of aromatic compounds leads to novel materials containing sp3 carbon-bonded networks. The choice of the molecular species and the control of their arrangement in the crystal structures via intermolecular interactions,... Read More about Pressure-Induced Polymerization of Polycyclic Arene–Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Design of Columnar Hydrofluorocarbons.

Origin of Magnetic Ordering in a Structurally Perfect Quantum Kagome Antiferromagnet (2020)
Journal Article
Arh, T., Gomilšek, M., Prelovšek, P., Pregelj, M., Klanjšek, M., Ozarowski, A., Clark, S., Lancaster, T., Sun, W., Mi, J.-X., & Zorko, A. (2020). Origin of Magnetic Ordering in a Structurally Perfect Quantum Kagome Antiferromagnet. Physical Review Letters, 125(2), Article 027203. https://doi.org/10.1103/physrevlett.125.027203

The ground state of the simple Heisenberg nearest-neighbor quantum kagome antiferromagnetic model is a magnetically disordered spin liquid, yet various perturbations may lead to fundamentally different states. Here we disclose the origin of magnetic... Read More about Origin of Magnetic Ordering in a Structurally Perfect Quantum Kagome Antiferromagnet.

Magnetism and Néel skyrmion dynamics in GaV4S8−ySey (2020)
Journal Article
Hicken, T., Holt, S., Franke, K., Hawkhead, Z., Štefančič, A., Wilson, M., Gomilšek, M., Huddart, B., Clark, S., Lees, M., Pratt, F., Blundell, S., Balakrishnan, G., & Lancaster, T. (2020). Magnetism and Néel skyrmion dynamics in GaV4S8−ySey. Physical Review Research, 2(3), Article 032001. https://doi.org/10.1103/physrevresearch.2.032001

We present an investigation of the influence of low levels of chemical substitution on the magnetic ground state and Néel skyrmion lattice (SkL) state in GaV4S8−ySey, where y=0,0.1,7.9, and 8. Muon-spin spectroscopy (μSR) measurements on y=0 and 0.1... Read More about Magnetism and Néel skyrmion dynamics in GaV4S8−ySey.