Related papers: A High-Throughput Search for Stable and Magnetical…
The elastic and magnetic properties, thermodynamical stability, deviation from stoichiometry and order/disorder transformations of phases that are relevant to Be alloys were investigated using density functional theory simulations coupled…
First-principles calculations were conducted to investigate the structural, electronic and magnetic properties of single Fe atoms and Fe dimers on Cu2N/Cu(100). Upon adsorption of an Fe atom onto Cu2N/Cu(100), robust Fe-N bonds form,…
We report a detailed study of the ground state helical magnetic structure in monophosphide FeP by means of ${}^{31}$P NMR spectroscopy. We show that the zero-field NMR spectrum of the polycrystalline sample provides strong evidence of an…
The magnetic behavior of single-crystal Ho$_2$PdSi$_3$, crystallizing in an AlB$_2$-derived hexagonal structure, is investigated by magnetic susceptibility ($\chi$) and electrical resistivity ($\rho$) measurements along two directions.…
A single crystalline system typically stabilizes a unique state for spin ordering below a critical temperature. Certain materials exhibit multiple magnetic states, driven by structural phase transitions under varying thermodynamic…
Synthesis of new materials that can host magnetic skyrmions and their thorough experimental and theoretical characterization are essential for future technological applications. The $\beta$-Mn-type compound FePtMo$_3$N is one such novel…
Hafnium dioxide (HfO2) is a promising ferroelectric (FE) material for achieving high-density nonvolatile memory and neuromorphic computing, due to its compatibility with the mainstream integrated circuit technology and the surprisingly…
We study realizations of spirals and skyrmions in two-dimensional antiferromagnets with a triangular lattice on an inversion-symmetry-breaking substrate. As a possible material realization, we investigate the adsorption of transition-metal…
The magnetic properties of a new family of molecular-based quasi-two dimension $S=1/2$ Heisenberg antiferromagnets are reported. Three compounds, ($Cu(pz)_2(ClO_4)_2$, $Cu(pz)_2(BF_4)_2$, and $[Cu(pz)_2(NO_3)](PF_6)$) contain similar planes…
The compound BaFe2Se3 (Pnma) has been synthesized in the form of single crystals with the average composition Ba0.992Fe1.998Se3. The Moessbauer spectroscopy used for investigation of the valence states of Fe in this compound at temperature…
Although Xe is known to form stable compounds with strong electronegative elements, evidence on the formation of stable compounds with electropositive elements, such as Fe and Ni, was missing until very recently. In addition to the…
We have investigated random submonolayer films of 3d transition metals on W(001). The tight-binding linear muffin-tin orbital method combined with the coherent potential approximation was employed to calculate the electronic structure of…
Two-dimensional ferromagnets with strong perpendicular magnetic anisotropy exhibit magnetic order down to the monolayer thickness, beneficial for energy-efficient spintronic devices. In this work, molecular beam epitaxy has been employed to…
Antiferromagnetic (AFM) FePS3 has gained significant interest recently for its potential applications in spin-related devices. A single layer is comprised of a honeycomb network, stabilized by long-range spin-exchange interactions, with a…
It is highly desirable to search for promising two-dimensional (2D) monolayer materials for deep insight of 2D materials and applications. We use first-principles method to investigate tetragonal perovskite oxide monolayers as 2D materials.…
We predict a new candidate high-temperature high-pressure structure of FeSiO$_3$ with space-group symmetry Cmmm by applying an evolutionary algorithm within DFT+U that we call post-perovskite II (PPv-II). An exhaustive search found no other…
Hexagonal rare-earth ferrite RFeO$_3$ family represents a unique class of multiferroics exhibiting weak ferromagnetism, and a strong coupling between magnetism and structural trimerization is predicted. However, the hexagonal structure for…
The work presents experimental results of precision magnetoresistance dr(H,T) measurements obtained for canonical heavy fermion compounds CeAl2, CeAl3, CeCu6 and substitutional solid solutions CeCu6-xAux (x=0.1 and 0.2) and Ce(Al0.95M0.05)2…
The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community due to the strong dependence of magnetic properties on composition, concentration, and structural geometry of diluted alloys. To address…
Two-dimensional van der Waals (2D vdW) materials that display ferromagnetism and piezoelectricity have received increased attention. Despite numerous 2D materials have so far been reported as ferromagnetic, developing an air stable and…