Asymmetric phase diagram and dimensional crossover in a system of spin-12 dimers under applied hydrostatic pressure
(2023)
Journal Article
Coak, M. J., Curley, S. P. M., Hawkhead, Z., Tidey, J. P., Graf, D., Clark, S. J., …Manson, J. L. (2023). Asymmetric phase diagram and dimensional crossover in a system of spin-12 dimers under applied hydrostatic pressure. Physical Review B, 108(22), Article 224431. https://doi.org/10.1103/physrevb.108.224431
Outputs (6)
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/10.1080/00107514.2023.2279810Non-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.
Band-filling-controlled magnetism from transition metal intercalation in N1/3NbS2 revealed with first-principles calculations (2023)
Journal Article
Hawkhead, Z., Hicken, T. J., Bentley, N. P., Huddart, B. M., Clark, S. J., & Lancaster, T. (2023). Band-filling-controlled magnetism from transition metal intercalation in N1/3NbS2 revealed with first-principles calculations. Physical Review Materials, 7(11), Article 114002. https://doi.org/10.1103/physrevmaterials.7.114002
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/s41598-023-43020-1The 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.107.235424Exotic 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.5.013015We 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.