4 papers
Injection of orbital angular momentum into transition metals from first-principles
Max Rang, Paul J. Kelly
We use quantum mechanical scattering calculations implemented in a basis of tight-binding muffin-tin orbitals to calculate nonequilibrium spin and orbital currents in transition me…
Orbital Hall effect in transition metals from first-principles scattering calculations
Max Rang, Paul J. Kelly
We use first-principles scattering calculations based upon wave-function matching and implemented with a tight-binding MTO basis to evaluate the orbital Hall conductivity $σ_{\rm o…
Orbital relaxation length from first-principles scattering calculations
Max Rang, Paul J. Kelly
The orbital Hall effect generates a current of orbital angular momentum perpendicular to a charge current. Experiments suggest that this orbital current decays on a long length sca…
Tuning Einstein Oscillator Frequencies of Cation Rattlers: A Molecular Dynamics Study of the Lattice Thermal Conductivity of CsPbBr
Jonathan Lahnsteiner, Max Rang, Menno Bokdam
The pure CsPbBr perovskite is an archetypal example of a strongly anharmonic crystal that poses a major challenge for computational methods to describe its thermodynamic proper…