León, AndreaAndreaLeónVelásquez, E.A.E.A.VelásquezTorres, Francisco J.Francisco J.TorresMejía-López, J.J.Mejía-LópezVargas, P.P.Vargas2026-10-192026-10-192020-03León, Andrea; Velásquez, E.A.; Torres, Francisco J.; Mejía-López, J.; Vargas, P. (2020-03). Hydrogen induced AFM to FM magnetic transition in ε-FeHx. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 498, 166147. https://doi.org/10.1016/j.jmmm.2019.1661470304-88531873-4766https://hdl.handle.net/20.500.12740/25333We study the magnetic behavior of the metallic system-FeHx as a function hydrogen concentration (x). Using ab-initio density functional theory, we investigate the effect of hydrogen on the stability of magnetic configurations considering two antiferromagnetic (AFM) phases and a ferromagnetic (FM) one present in epsilon-Fe (AFM-I and AFM-II). Our results show a magnetic transition induced by H between AFM and FM around x = 0.44. In this way, two main effects can determine the stability and the magnetic phase transition: a volume increase that produces an AFM to FM transition and the charge transfer effect from H to Fe energetically favors the FM phase. We discuss these behaviors in detail and physically explain the magnetic transition and the overall behavior using a phenomenological Stoner model for these systems.enArticulohttps://doi.org/10.1016/j.jmmm.2019.166147