Related papers: A High-Throughput Search for Stable and Magnetical…
Monolayer Fe$_2$C is expected to possess strong electronic correlations, which can significantly contribute to electronic and magnetic properties. In this work we consider electronic and magnetic properties of MXene Fe$_2$C within the…
In this work, high throughput DFT calculations are performed on the alkali metal-based half Heusler alloys; LiY$_p$Y$^\prime_{1-p}$S (Y, Y$^\prime$ = V, Cr, Mn, Fe, Co, Ni and $\mathit{p}$ = 0, 0.25, 0.5, 0.75, 1). Starting with 243…
Using first-principles calculations and atomistic spin simulations, we predict stable isolated skyrmions with a diameter below 10 nm in a monolayer of the two-dimensional van der Waals ferromagnet Fe$_5$GeTe$_2$, a material of significant…
Magnetic skyrmions are topological spin structures having immense potential for energy efficient spintronic devices. However, observations of skyrmions at room temperature are limited to patterned nanostructures. Here, we report the…
The discovery of monolayer MA$_2$Z$_4$ (M = transition metals; A = IVA elements; Z = VA elements, Science 369, 2020, 670-674) family has led another advance for facilitating and harnessing magnetism in low-dimensional materials. However,…
The Co$_2$Ge$_2$Te$_6$ shows intrinsic ferromagnetic (FM) order, which origins from superexchange interaction between Co and Te atoms, with higher Curie temperature ($T_c$) of 161 K. Co$_2$Ge$_2$Te$_6$ monolayer (ML) is half-metal (HM), and…
The quest for electric-field control of nanoscale magnetic states such as skyrmions, which would impact the field of spintronics, has led to a challenging search for multiferroic materials or structures with strong magnetoelectric coupling…
The Fe$_5$PB$_2$ compound offers tunable magnetic properties via the possibility of various combinations of substitutions on the Fe and P-sites. Here, we present a combined computational and experimental study of the magnetic properties of…
FeNbTe$_{2}$, long known as a van der Waals metallic system, has recently been resynthesized and shown to exhibit ferromagnetic order. In this study, using first-principles density functional theory (DFT), we aim to provide a deeper insight…
We suggest a possible origin of noncollinear magnetic textures in ferromagnets (FMs) with the $D_{3h}$ point group symmetry. The suggested mechanism is different from the Dzyaloshinskii-Moriya interaction (DMI) and its straightforward…
We present a new approach to study the magnetic phase stability of magnetic overlayers on nonmagnetic substrates. The exchange integrals among magnetic atoms in the overlayer are estimated in the framework of the adiabatic approximation and…
Pursuing two-dimensional (2D) intrinsic ferromagnetism with high Curie temperature and great mechanical flexibility has attracted great interest in flexible spintronics. In the present work, we carried out a density functional theory (DFT)…
To date only a few two-dimensional (2D) magnetic crystals were experimentally confirmed, such as CrI3 and CrGeTe3, all with very low Curie temperatures (TC). High-throughput first-principles screening over a large set of materials yields 89…
Heusler alloys have attracted interest in various fields of functional materials since their properties can quite easily be tuned by composition. Here, we have investigated the relatively new class of all-3d Heusler alloys in view of its…
Two-dimensional (2D) magnetic materials are of current great interest for their promising applications in spintronics. Strong magnetic coupling and anisotropy are both highly desirable for the achievement of a high temperature magnetic…
Chromium based inverse Heusler compounds of the type Cr2YZ (Y=Co, Fe; Z=Al, Ga, In, Si, Ge, Sn) have been proposed as fully compensated half-metallic ferrimagnets. Such materials are of large interest for spintronics because they combine…
In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were synthesized in 2D forms, with high electrical conductivities and capacitances as well. Motivated by these experimental advances, we employed first-principles simulations to…
We investigate the magnetic structure of Mn3-xFexSn2 using neutron powder diffraction experiments and electronic structure calculations. These alloys crystallize in the orthorhombic Ni3Sn2 type of structure (Pnma) and comprise two…
We present a detailed theoretical investigation on the magnetic properties of small single-layered Fe, Co and Ni clusters deposited on Ir(111), Pt(111) and Au(111). For this a fully relativistic {\em ab-initio} scheme based on density…
We report the crystal growth and structural, magnetic, conductivity, and specific heat investigations of Rb(1-x)Fe(2-y)Se2 single crystals with varying stoichiometry prepared by self-flux and Bridgman methods. The system exhibits a strongly…