Designing, synthesising and understanding oxides using X-ray photoelectron spectroscopy

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Hybrid functionals for periodic systems in the density functional tight-binding method
Interaction models and configurational entropies of binary MoTa and the MoNbTaW high entropy alloy
Simulating high-entropy alloys at finite temperatures: An uncertainty-based approach
Current-induced switching of thin film $α\text{−}{\mathrm{Fe}}_{2}{\mathrm{O}}_{3}$ devices imaged using a scanning single-spin microscope
Combinatorial exploration of quantum spin liquid candidates in the herbertsmithite material family
$^{13}\mathrm{C}$ NMR study of the electronic structure of lithiated graphite
Band structures and ${\mathbb{Z}}_{2}$ invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals
Extreme sensitivity of the magnetic ground state to halide composition in ${\mathrm{FeCl}}_{3−x}{\mathrm{Br}}_{x}$
Influence of the octahedral cation on the evolution of lattice phonons in metal halide double perovskites: Raman spectroscopic investigation of ${\mathrm{Cs}}_{2}{B}^{′}{B}^{″}{\mathrm{Cl}}_{6}$ (${B}^{′}={\mathrm{Ag}}_{1−x}{\mathrm{Na}}_{x}$; ${B}^{″}={\mathrm{Bi}}_{1−x}{\mathrm{In}}_{x}$)
Yielding in multicomponent metallic glasses: Universal signatures of elastic modulus heterogeneities

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