Related papers: Non-collinear magnetic ordering in compressed FePd…
Using a first principles based, magnetic tight-binding total energy model, the magnetization energy and moments are computed for various ordered spin configurations in the high pressure polymorphs of iron (fcc, or $\gamma$-Fe, and hcp, or…
Recent experiments on Pd$_{3}$Fe intermetallics [Phys. Rev. Lett. 102, 237202 (2009)] have revealed that the system behaves like a classical invar alloy under high pressure. The experimental pressure-volume relation suggests an anomalous…
We study the electronic states of the magnetically ordered Mn3Pt alloy within the density functional theory. Mn3Pt has been believed that one third of Mn atoms have no magnetic moment in an antiferromagnetic phase (so-called the F-phase)…
Based on Monte-Carlo simulations, the stable magnetization configurations of an antiferromagnet on a quasiperiodic tiling are derived theoretically. The exchange coupling is assumed to decrease exponentially with the distance between…
Among the numerous 2D system that can be prepared via exfoliation, iron phosphorus trisulfide (FePS3) attracts a lot of attention recently due to its broad-range photoresponse, its unusual Ising-type magnetic order and possible applications…
Density-functional calculations are carried out to investigate incommensurate magnetic structures and ferroelectric polarization in newly discovered multiferroic material MnI$_2$. The exchange interactions among local moments on Mn are…
We present a thorough theoretical assessment of the stability of non-collinear spin arrangements in small palladium clusters. We generally find that ferromagnetic order is always preferred, but that antiferromagnetic and non-collinear…
The magnetic phase diagram of the Mn-based semi-Heusler alloys is determined at T=0 using first-principles calculations in conjunction with the frozen-magnon approximation. We show that the magnetism in these systems strongly depends on the…
Motivated by the importance of non-collinear and non-coplanar magnetic phases in determining various electrical properties of magnetic materials, we investigate the phase diagrams of the extended Hubbard model on anisotropic triangular…
By means of powder neutron diffraction we investigate changes in the magnetic structure of the coplanar non-collinear antiferromagnet Mn$_3$Ge caused by an application of hydrostatic pressure up to 5\phantom{ }GPa. At ambient conditions the…
We have studied the electronic and magnetic properties of Fe-Pt, Co-Pt and Ni-Pt alloy systems in ordered and disordered phases. The influence of various exchange-correlation functionals on values of equilibrium lattice parameters and…
The ground--state magnetic phase diagram is investigated for the two-- and three--dimensional $t$--$t'$ Hubbard model. We take into account commensurate ferro--, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as…
Standard microscopic approach to magnetic orders is based on assuming a Heisenberg form for inter-atomic exchange interactions. These interactions are considered as a driving force for the ordering transition with magnetic moments serving…
Resolving the interplay between magnetic interactions and structural properties in strongly correlated materials through a quantitatively accurate approach has been a major challenge in condensed matter physics. Here we apply highly…
In this letter, we address a novel mechanism for iron based superconductors. We study $F^{2+}$ state of iron with six 3d electrons. Five of them are localized with ferromagnetic order, while the sixth one is itinerant antiparallel with the…
Tight-binding Hamiltonians with single and multiple orbitals exhibit an intriguing array of magnetic phase transitions. In most cases the spin ordered phases are insulating, while the disordered phases may be either metallic or insulating.…
A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic…
Using linear-response density-functional theory, we obtain the magnetic interactions in the several iron pnictides. The ground state has been found to be non-collinear in FeSe, with a large continuum of nearly degenerate states lying very…
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…
We present a thorough theoretical assessment of the stability of non-collinear spin arrangements in small palladium clusters. We generally find that ferromagnetic order is always preferred, but that antiferromagnetic and non-collinear…