Related papers: Orbital and magnetic ordering in single-layer FePS…
Here, a magnetic model with an unprecedentedly large number of parameters was determined from first-principles calculations for transition-metal phosphorus trisulfides (TMPS$_3$'s), which reproduced the measured magnetic ground states of…
Magnetism in two-dimensional materials is not only of fundamental scientific interest but also a promising candidate for numerous applications. However, studies so far, especially the experimental ones, have been mostly limited to the…
This study investigates the spin-orbital states of FePS3 and FePSe3 monolayers and the origin of their Ising zigzag AFM, using DFT, crystal field level diagrams, superexchange analyses, and parallel tempering MC simulations. Our…
Lamellar structures of transition metal phosphorus trisulfides possess strong intralayer bonding, albeit adjacent layers are held by weak van der Waals interactions. Those compounds received enormous interest due to their unique combination…
Recent development in two-dimensional (2D) magnetic materials have motivated the search for new van der Waals magnetic materials, especially Ising-type magnets with strong magnetic anisotropy. Fe-based MPX3 (M = transition metal, X =…
Fe$_{3-x}$GeTe$_2$ is a layered van der Waals magnetic material with a relatively high ordering temperature and large anisotropy. While most studies have concluded the interlayer ordering to be ferromagnetic, there have also been reports of…
Nematic orders emerge nearly universally in iron-based superconductors, but elucidating their origins is challenging because of intimate couplings between orbital and magnetic fluctuations. The iron-based ladder material BaFe2S3, which…
We report the magnetic phase diagram of Mn$_{1-x}$Fe$_{x}$PSe$_3$ which represents a random magnet system of two antiferromagnetic systems with mixed spin, mixed spin anisotropies, mixed nearest neighbor magnetic interactions and mixed…
By means of ab initio calculations based on the density functional theory we investigated magnetic phase diagram of ordered FePd$_3$ alloy as a function of external pressure. Considering several magnetic configurations we concluded that the…
The Fe(1+x)Sb compound has been synthesized close to stoichiometry with x = 0.023(8). The compound was investigated by 57Fe M\"ossbauer spectroscopy in the temperature range 4.2 - 300 K. The antiferromagnetic ordering temperature was found…
Iron telluride (FeTe), a relative of the iron based high temperature superconductors, displays unusual magnetic order and structural transitions. Here we explore the idea that strong correlations may play an important role in these…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
Magnetic 2D materials enable novel tuning options of magnetism. As an example, the van der Waals material FePS3, a zigzag-type intralayer antiferromagnet, exhibits very strong magnetoelastic coupling due to the different bond lengths along…
We use the state-of-the-arts density-functional-theory method to study various magnetic orders and their effects on the electronic structures of the FeSe. Our calculated results show that, for the spins of the single Fe layer, the striped…
We present neutron scattering measurements on powder samples of the spinel FeSc2S4 that reveal a previously unobserved magnetic ordering transition occurring at 11.8(2)~K. Magnetic ordering occurs subsequent to a subtle cubic-to-tetragonal…
Van der Waals (vdW) magnets are an ideal platform for tailoring two-dimensional (2D) magnetism with immense potential for spintronics applications and are intensively investigated. However, little is known about the microscopic origin of…
Layered van-der-Waals 2D magnetic materials are of great interest in fundamental condensed-matter physics research, as well as for potential applications in spintronics and device physics. We present neutron powder diffraction data using…
Recently, two monolayer magnetic materials, i.e., FePS3 and NiPS3, have been successfully fabricated. Despite that they have the same atomic structure, the two monolayers exhibit distinct magnetic properties. FePS3 holds an out-of-plane…
The two-dimensional van der Waals (vdW) materials MPS_3(M = Mn, Fe, Co, Ni) display antiferromagnetic ordering of the magnetic moments at the transition metal ions. The possibility to exfoliate thin layers that preserve the magnetic order…
Long-range magnetic orders in atomically thin ferromagnetic CrI3 give rise to new fascinating physics and application perspectives. The physical properties of two-dimensional (2D) ferromagnetism CrI3 are significantly influenced by…