4 papers
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…
Emergence of a Bandgap in Nano-Scale Graphite: A Computational and Experimental Study
Sujinda Chaiyachad, Trung-Phuc Vo, Warakorn Jindata +12
Bandgaps in layered materials are critical for enabling functionalities such as tunable photodetection, efficient energy conversion, and nonlinear optical responses, which are esse…
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…
Layered Multiple Scattering Approach to Hard X-ray Photoelectron Diffraction: Theory and Application
Trung-Phuc Vo, Olena Tkach, Sylvain Tricot +10
Photoelectron diffraction (PED) is a powerful and essential experimental technique for resolving the structure of surfaces with sub-angstrom resolution. In the high energy regime,…