Using ab initio dynamical mean-field theory we explore the electronic and magnetic states of layered LixMnO2 as a function of x, the state-of-charge. We observe a crossover from coherent to incoherent behavior on delithiation as function of state-of-charge.
Sincerest congratulations to Matt for passing his PhD viva at the University of Cambridge! Matt has been an integral part of the group, developing tools we still use to this day. We are proud of his many achievements during his time with us, and we wish him all the best...
Ni-rich lithium-ion cathode materials achieve both high voltages and capacities but are prone to structural instabilities and oxygen loss. The origin of the instability lies in the pronounced oxidation of O during delithiation: for LiNiO2, NiO2, and the rock salt NiO, density functional theory and dynamical mean-field theory calculations based...
A warm welcome to Dr Chandan Kumar Singh, a post-doctoral research fellow whose research focuses on studying correlated disorders and their impact on complex magnetic structures in various quantum materials.