108 citations · 564 across the 23 of their papers we have counts for
9 papers · 1 filter
Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, KMnO ()
Liam A. V. Nagle-Cocco, Joshua D. Bocarsly, Krishnakanth Sada +9
Cryptomelane is a hollandite-like material consisting of K cations in an -MnO tunnel-like crystallographic motif. Cryptomelane with stoichiometry KMnO ($x…
Magnetism on the stretched diamond lattice in lanthanide orthotantalates
Nicola D. Kelly, Lei Yuan, Rosalyn L. Pearson +3
The magnetic Ln ions in the fergusonite and scheelite crystal structures form a distorted or stretched diamond lattice which is predicted to host exotic magnetic ground stat…
Pressure tuning the Jahn-Teller transition temperature in NaNiO
Liam A V Nagle-Cocco, Craig L Bull, Sian E Dutton +1
NaNiO is a layered material consisting of alternating layers of NaO and Jahn-Teller-active NiO edge-sharing octahedra. At ambient pressure it undergoes a broad phase tr…
Strengthening the magnetic interactions in pseudobinary first-row transition metal thiocyanates, (NCS)
Euan N. Bassey, Joseph A. M. Paddison, Evan N. Keyzer +6
Understanding the effect of chemical composition on the strength of magnetic interactions is key to the design of magnets with stronger exchange interactions. The magnetic divalent…
An Ab Initio Investigation on the Electronic Structure, Defect Energetics, and Magnesium Kinetics in MgBi
Jeongjae Lee, Bartomeu Monserrat, Ieuan Seymour +3
We present a comprehensive ab initio investigation on MgBi, a promising Mg-ion battery anode material with high rate capacity. Through combined DFT (PBE, HSE06) and $G_0W_0…
Quantum Critical Points in Ferroelectric Relaxors: Stuffed Tungsten Bronze K3Li2Ta5O15 and Lead Pyrochlore (Pb2Nb2O7)
Rebecca M. Smith, Jonathan Gardner, Finlay D. Morrison +7
We have synthesised ceramic specimens of the tetragonal tungsten bronze K3Li2Ta5O15 (KLT) and characterized its phase transition via X-ray, dielectric permittivity, ultrasonic spec…