40 citations · 84 across the 4 of their papers we have counts for
4 papers
Effects of magnetic excitations and transitions on vacancy formation: cases of fcc Fe and Ni compared to bcc Fe
Kangming Li, Chu-Chun Fu, Anton Schneider
Vacancy is one of the most frequent defects in metals. We study the impacts of magnetism on vacancy formation properties in fcc Ni, and in bcc and fcc Fe, via density functional th…
Ab-initio based models for temperature-dependent magneto-chemical interplay in bcc Fe-Mn alloys
Anton Schneider, Chu-Chun Fu, Osamu Waseda +2
Body-centered cubic (bcc) Fe-Mn systems are known to exhibit a complex and atypical magnetic behaviour from both experiments and 0 K electronic-structure calculations, which is due…
Atomic diffusion in alpha-iron across the Curie point: an effcient and transferable ab-initio-based modelling approach
Anton Schneider, Chu Chun Fu, Frederic Soisson +1
An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We propose an effcient approach to address thes…
Effective interaction model for coupled magnetism and phase stability in bcc Fe-Co systems
Van-Truong Tran, Chu-Chun Fu, Anton Schneider
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content…