相关论文: A common magnetic origin for the Invar effects in …

Certain alloys of iron and nickel (so-called 'Invar' alloys) exhibit almost no thermal expansion over a wide range of temperature. It is clear that this is the result of an anomalous contraction upon heating which counteracts the normal…

The invar phenomenon (very small thermal expansion in some iron alloys or compounds) is usually explained by the thermally-induced transitions between different spin states of Fe, having different atomic volumes. We consider these processes…

The Fe$_{0.64}$Ni$_{0.36}$ alloy exhibits an anomalously low thermal expansion at ambient conditions, an effect that is known as the invar effect. Other Fe$_{x}$Ni$_{1-x}$ alloys do not exhibit this effect at ambient conditions but upon…

We present a necessary condition under which a collinear ferromagnet Fe$_{1-x}A_{x}$ ($A={\rm Pt},{\rm Ni}$) with disordered face-centered-cubic structure exhibits the Invar effect. The condition involves the rate at which the fraction of…

The Invar effect in ferromagnetic Fe-Ni, Fe-Pt, and Fe-Pd alloys is investigated theoretically by means of a computationally efficient scheme. The procedure can be divided into two stages: study of magnetism and calculations of structural…

By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an…

Based on state-of-the-art density-functional-theory methods we calculate the stacking-fault energy of the paramagnetic random Fe-22.5at.%Mn alloy between 300-800 K. We estimate magnetic thermal excitations by considering longitudinal…

We study the momentum- and temperature dependencies of magnetic susceptibilities and magnetic exchange in paramagnetic fcc iron by a combination of density functional theory and supercell dynamical mean-field theory (DFT+DMFT). We find that…

Thermal lattice expansion of the Invar Fe65Ni35 alloy is investigated in first-principles calculations using the spin-wave method, which is generalized here for the ferromagnetic state with short range order. It is shown that magnetic…

Keeping nickel, cobalt and iron in mind, we investigate the origin of the itinerant ferromagnetism. In so doing, we generalize the Gutzwiller approximation. In that,we take account of the effect of the band degeneracy and the Hund's-rule…

We propose a first-principles formulism for system with spin fluctuations and apply it to the ordered Fe3Pt to uncover the Invar anomalies, including negative thermal expansion and spontaneous magnetization. The theory has coherently…

Iron-chromium forms the basis of most of the stainless steel grades in the markets. Recently new insights into the physical and chemical properties of Fe-Cr based alloys have been obtained. Some of the new results are quite unexpected and…

A hybrid ab initio theoretical approach for examining thermal properties in magnetic systems of unknown entropy is presented. Commonly used theoretical approaches interrogate thermal properties from Gibbs/Helmholtz free energies, which…

In weakly ferromagnetic materials, already small changes in the atomic configuration triggered by temperature or chemistry can alter the magnetic interactions responsible for the non-random atomic-spin orientation. Different magnetic…

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…

The bcc-based Fe_{1-x}Al_{x} exhibit interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well…

In this contribution we would like to revisit the problems of ferromagnetism (F) and antiferromagnetism (AF) in the pure itinerant model. These methods can be extended later to the superconducting materials. In our model we assume the…

We present a simple, general energy functional for ferromagnetic materials based upon a local spin density extension to the Stoner theory of itinerant ferromagnetism. The functional reproduces well available ab initio results and…

Ferroelectricity has been found to occur in several insulating systems, such as TbMnO$_3$ (TMO) and Ni$_3$V$_2$O$_8$ (NVO) which have more than one phase with incommensurately modulated long-range magnetic order. Here we give a…

We investigate the photoinduced shift of the ferromagnetic resonance (FMR) frequency in magnets caused by the inverse Cotton-Mouton effect (ICME) under linearly polarized light. Using a Lagrangian description of magnetization dynamics, we…