Hydrogen induced AFM to FM magnetic transition in ε-FeHx

Andrea León; E. A. Velásquez; Francisco J. Torres; J. Mejía-López; P. Vargas

doi:10.1016/j.jmmm.2019.166147

Hydrogen induced AFM to FM magnetic transition in ε-FeH_x

Andrea León, E. A. Velásquez, Francisco J. Torres, J. Mejía-López, P. Vargas

Nanostructured Materials and Biomodeling Research Group

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

We study the magnetic behavior of the metallic system ∊-FeH_x 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 ∊-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.

Original language	English
Article number	166147
Journal	Journal of Magnetism and Magnetic Materials
Volume	498
DOIs	https://doi.org/10.1016/j.jmmm.2019.166147
State	Published - 15 Mar 2020

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title = "Hydrogen induced AFM to FM magnetic transition in ε-FeHx",

abstract = "We 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 ∊-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.",

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T1 - Hydrogen induced AFM to FM magnetic transition in ε-FeHx

AU - León, Andrea

AU - Velásquez, E. A.

AU - Torres, Francisco J.

AU - Mejía-López, J.

AU - Vargas, P.

PY - 2020/3/15

Y1 - 2020/3/15

N2 - We 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 ∊-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.

AB - We 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 ∊-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.

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DO - 10.1016/j.jmmm.2019.166147

M3 - Artículo

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SN - 0304-8853

VL - 498

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

M1 - 166147

ER -

Hydrogen induced AFM to FM magnetic transition in ε-FeH_x

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