TY - GEN
T1 - Magnetic properties of Monoclinic Fe3Se4 doped with transition metals
AU - Alsaad, Ahmad
AU - Al Aqtash, Nabil
AU - Zeng, Hao
AU - Sabirianov, Renat F.
N1 - Publisher Copyright:
© 2023 IEEE.
PY - 2023
Y1 - 2023
N2 - We report density functional theory (DFT) study of the magnetic properties of Fe3Se4 doped with transition metals, TM (Co, Cr, Ni and Mn), where TM ions are doped in Fe sites to yield Fe3-x(TM)xSe4 (x = 0.5). Screening of the exchange coupling interaction and magnetization modifications were performed upon the substitution of Fe by 3d-transition metals at various Fe sites in the Fe3Se4 structure. Our study reveals that doping of Fe3Se4 with 3d-elements at Fe sites does not remove antiferromagnetic (AFM) coupling across layers. Although a slight increase in magnetization can be obtained at low Ni-doping. The origin of this increase could be attributed to the AFM superexchange coupling of Fe across the Se planes. This coupling is exhibited by elements with more than half-filled electron shell, i.e. Fe is such an element. Moreover, the exchange coupling between layers of Fe increases strongly as function of interlayer spacing (a lattice parameter) for both pristine and TM-doped Fe3Se4, while the magnetizations of Fe3Se4 alloys do not change significantly.
AB - We report density functional theory (DFT) study of the magnetic properties of Fe3Se4 doped with transition metals, TM (Co, Cr, Ni and Mn), where TM ions are doped in Fe sites to yield Fe3-x(TM)xSe4 (x = 0.5). Screening of the exchange coupling interaction and magnetization modifications were performed upon the substitution of Fe by 3d-transition metals at various Fe sites in the Fe3Se4 structure. Our study reveals that doping of Fe3Se4 with 3d-elements at Fe sites does not remove antiferromagnetic (AFM) coupling across layers. Although a slight increase in magnetization can be obtained at low Ni-doping. The origin of this increase could be attributed to the AFM superexchange coupling of Fe across the Se planes. This coupling is exhibited by elements with more than half-filled electron shell, i.e. Fe is such an element. Moreover, the exchange coupling between layers of Fe increases strongly as function of interlayer spacing (a lattice parameter) for both pristine and TM-doped Fe3Se4, while the magnetizations of Fe3Se4 alloys do not change significantly.
KW - density functional theory
KW - ferrimagnetic materials
KW - iron alloys
KW - magnetic anisotropy
UR - https://www.scopus.com/pages/publications/85172728993
U2 - 10.1109/INTERMAGShortPapers58606.2023.10228597
DO - 10.1109/INTERMAGShortPapers58606.2023.10228597
M3 - Conference contribution
AN - SCOPUS:85172728993
T3 - 2023 IEEE International Magnetic Conference - Short Papers, INTERMAG Short Papers 2023 - Proceedings
BT - 2023 IEEE International Magnetic Conference - Short Papers, INTERMAG Short Papers 2023 - Proceedings
PB - Institute of Electrical and Electronics Engineers Inc.
T2 - 2023 IEEE International Magnetic Conference - Short Papers, INTERMAG Short Papers 2023
Y2 - 15 May 2023 through 19 May 2023
ER -