6 citations · 6 across the 2 of their papers we have counts for
5 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…
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 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…
A DFT study of the structural and electronic properties of single and double acceptor dopants in MX2 monolayers
Yuqiang Gao, Paul J. Kelly
Density functional theory calculations are used to systematically investigate the structural and electronic properties of MX transition metal dichalcogenide monolayers with M =…