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…
Smooth Overlap of Spin Orientations: Machine Learning Exchange Fields for Ab-initio Spin Dynamics
Yuqiang Gao, Menno Bokdam, Paul J. Kelly
We add the magnetic degrees of freedom to the widely used Gaussian Approximation Potential of machine learning (ML) and present a model that describes the potential energy surface…
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 $Ï_{\rm…
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…