4 papers · 1 filter
ASE2SPRKKR: a unified Python framework integrating the Spin-Polarized Relativistic Korringa-Kohn-Rostoker method into the Atomic Simulation Environment
Ridha Eddhib, Matyáš Novák, Hubert Ebert +2
The Spin-Polarized Relativistic Korringa-Kohn-Rostoker (SPR-KKR) is an all-electron ab-initio multiple-scattering code that provides unique capabilities for treating chemical disor…
Probing the semiconductor-to-dirac semimetal transition in Na-Sb-Bi alloys with x-ray Compton scattering
Aki Pulkkinen, Veenavee Nipunika Kothalawala, Kosuke Suzuki +12
We discuss electron redistribution during the semiconductor-to-Dirac semimetal transition in Na-Sb-Bi alloys using x-ray Compton scattering experiments combined with first-principl…
Unveiling Fine Structure and Energy-driven Transition of Photoelectron Kikuchi Diffraction
Trung-Phuc Vo, Olena Tkach, Aki Pulkkinen +8
The intricate fine structure of Kikuchi diffraction plays a vital role in probing phase transformations and strain distributions in functional materials, particularly in electron m…
Reexamining Circular Dichroism in Photoemission From a Topological Insulator
Ittai Sidilkover, Yun Yen, Sunil Wilfred D'Souza +10
The orbital angular momentum (OAM) of electron states is an essential ingredient for topological and quantum geometric quantities in solids. For example, Dirac surface states with…