Outputs (5)

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., …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., …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., …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.

Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide (2020)
Journal Article
Lu, H., Clark, S., Guo, Y., & Robertson, J. (2020). Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide. Physical Chemistry Chemical Physics, 22(24), 13474-13478. https://doi.org/10.1039/d0cp01929a

We compare various calculation methods to determine the electronic structures and energy differences of the phases of VO2. We show that density functional methods in the form of GGA+U are able to describe the enthalpy difference (latent heat) between... Read More about Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide.

Hybrid band offset calculation for heterojunction interfaces between disparate semiconductors (2020)
Journal Article
Zhang, Z., Guo, Y., Lu, H., Clark, S. J., & Robertson, J. (2020). Hybrid band offset calculation for heterojunction interfaces between disparate semiconductors. Applied Physics Letters, 116(13), Article 131602. https://doi.org/10.1063/1.5135376

Accurate band offset calculations are challenging for heterojunction interfaces that consist of two very different host materials. For this, the key requirement is to have the correct bandgap of each material at the same time. A hybrid calculation sc... Read More about Hybrid band offset calculation for heterojunction interfaces between disparate semiconductors.