Search arXivSearch

arXiv · 2505.05924

Magnetic anisotropy related to hybridization between Fe 3$d$ and As 4$p$ orbitals in a bcc Fe-As thin film

Abstract

The magnetic anisotropy (MA) of Fe-based ferromagnetic thin films has been extensively studied for device applications. The examined material is a new Fe-based ferromagnetic thin film, bcc Fe$_{1-x}$As$_x$ (Fe-As) with the in-plane MA (IMA) grown on a GaAs (111)B substrate. The magnetic properties of the Fe-As thin film have been investigated by Xray magnetic circular dichroism (XMCD) and magnetic circular dichroism in hard X-ray photoemission spectroscopy (MCD-HAXPES) to elucidate the role of As ions in the IMA. The XMCD spectra at the Fe $L_{2,3}$ edge and MCD-HAXPES spectra of the Fe 2$p$ core level exhibit ferromagnetic and metallic features like Fe metal. The XMCD at the As $L_{2,3}$ edge demonstrates that the As ions contribute to the ferromagnetism of bcc Fe-As through the hybridization between the Fe 3$d$ and As 4$p$ orbitals. The estimations of the magnetic moments of Fe using the XMCD sum rules have revealed that the orbital magnetic moment is isotropic and the magnetic dipole term is anisotropic. The anisotropy of the magnetic dipole term can be attributed to the anisotropic $p-d$ hybridization due to epitaxial strain, contributing to the IMA of bcc Fe-As. Our findings enlighten the mechanism of the MA of the non-magnetic ion-doped bcc Fe thin film, which can be applied to other magnetic 3$d$ transition metal thin films doped with non-magnetic elements.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Takahito Takeda, Karumuri Sriharsha, Seiji Aota, Ryo Okano, Le Duc Anh, Yukiharu Takeda, Akira Yasui, Miho Kitamura, Yuki K. Wakabayashi, Atsushi Fujimori, Masaaki Tanaka, Masaki Kobayashi. 2025-05-09. Magnetic anisotropy related to hybridization between Fe 3$d$ and As 4$p$ orbitals in a bcc Fe-As thin film. https://arxiv.org/abs/2505.05924

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)

Cryptomelane is a hollandite-like material consisting of K$^+$ cations in an $α$-MnO$_2$ tunnel-like crystallographic motif. Cryptomelane with stoichiometry K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$) has been synthesized and its magnetic properties investigated using variable-temperature magnetic susceptibility, heat capacity, and neutron powder diffraction. Three distinct transitions at $T_1=184$\,K, $T_2=54.5$\,K, and $T_3=24$\,K are observed. At $T_1$ there is a subtle tetragonal$\rightarrow$monoclinic transition associated with emergence of a set of non-magnetic superstructure peaks indexable to a $\vec{k}_\mathrm{struc}\approx0.74\vec{c^*}$ incommensurate modulation parallel to the $α$-MnO$_2$ tunnels. Our findings are consistent with a relation previously reported in titanate hollandites, that $x\approx2|\vec{k}_\mathrm{struc}|$. Magnetic Bragg peaks emerge below $T_2=54.5$\,K, and their positions indicate an incommensurate modulated magnetic structure. The model consistent with the data is a dual-$\vec{k}_\mathrm{mag}$ structure with a ferromagnetic $|\vec{k}_\mathrm{mag}|=0$ component and an incommensurate $\vec{k}_\mathrm{mag}\approx0.37\vec{c^*}$, with the latter most likely to be helical. The period of oscillation of the incommensurate magnetic component is in line with predictions based on a Heisenberg spin Hamiltonian [Mandal \textit{et al}. Phys. Rev. B 90, 104420 (2014)]. Below $T_3=24$\,K, there is a magnetic transition, which gives rise to a different set of magnetic Bragg peaks indicative of a highly complex magnetic structure.

cond-mat.mtrl-sci

An anisotropic functional for two-dimensional material systems

Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose a special challenge, as all these materials and their heterostructures have a crucial similarity. The underlying atomic structures are strongly spatially inhomogeneous, implying that current exchange-correlation functionals, that in almost all cases are isotropic, are ill-prepared for an accurate description. We present an anisotropic screened-exchange potential, that remedies this problem and reproduces the band-gap of 2D materials as well as the piecewise linearity of the total energy with fractional occupation number.

cond-mat.mtrl-sci

Thermally-driven reorientation of the Néel vector in altermagnetic MnTe

Altermagnets are novel magnetic systems that possess a spin-polarized electronic band structure without a net magnetic moment, making them promising for device applications. Hexagonal MnTe, a prototypical altermagnet, arguably exhibits the most properties consistent with theoretical predictions, including an anomalous Hall effect despite a vanishing net magnetization, and altermagnetinduced electronic band splitting. However, fundamental questions remain, including why some effects only appear significantly below the magnetic ordering temperature. Here, we resolve this discrepancy by revealing a reorientation of the Néel vector in single-crystalline MnTe. The Néel vector points 30° from the a-axis at low $T$, before aligning directly with the a-axis around $T\simeq 260$ K. We attribute this to single-ion anisotropy, which depends on temperature-dependent lattice parameters. We obtained these results using muon-spin spectroscopy, magnetization measurements, and X-ray diffraction; we show that the findings are consistent with neutron diffraction. Manipulating this effect, for example through strain, could unlock sensitive electronic detection schemes for external stimuli, paving the way for functional altermagnetic devices.

cond-mat.mtrl-sci