370 citations · 680 across the 34 of their papers we have counts for
3 papers · 2 filters
Reinventing atomistic magnetic simulations with spin-orbit coupling
Dilina Perera, Markus Eisenbach, Don M. Nicholson +2
We propose a powerful extension to combined molecular and spin dynamics that fully captures the coupling between the atomic and spin subsystems via spin-orbit interactions. Its fou…
Deciphering chemical order/disorder and material properties at the single-atom level
Yongsoo Yang, Chien-Chun Chen, M. C. Scott +13
Correlating 3D arrangements of atoms and defects with material properties and functionality forms the core of several scientific disciplines. Here, we determined the 3D coordinates…
A full-potential approach to the relativistic single-site Green's function
Xianglin Liu, Yang Wang, Markus Eisenbach +1
One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theor…