相关论文: Complex magnetism of lanthanide intermetallics unr…

Accurately predicting the Curie temperature ($T_c$) of ferroelectrics from first principles remains a major challenge, as theoretical estimates often fall significantly below experimental values. In this work, we investigate the origin of…

We have carried out dc magnetization (M), heat-capacity (C) and dielectric studies down to 2K for the compound GdCrTiO5, crystallizing in orthorhombic Pbam structure, in which well-known multiferroics RMn2O5 (R= Rare-earths) form. The…

Magnetic semiconductors are attracting high interest because of their potential use for spintronics, a new technology which merges electronics and manipulation of conduction electron spins. (GaMn)As and (GaMn)N have recently emerged as the…

We present a first-principles investigation of NdFe$_{12}$ and NdFe$_{12}$X (X = B, C, N, O, F) crystals with the ThMn$_{12}$ structure. Intersite magnetic couplings in these compounds, so-called exchange couplings, are estimated by…

We report the parameter-free, density functional theory calculations of interatomic exchange interactions and Curie temperatures of half-metallic ferrimagnetic full Heusler alloys Mn2VZ (Z=Al, Ge). To calculate the interatomic exchange…

We investigate the magnetic and electronic properties of the Gd$T_2$Zn$_{20}$ ($T$ = Fe and Co) compounds using X-ray resonant magnetic scattering (XRMS), X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism…

Dimensionality can strongly influence the magnetic structure of solid systems. Here, we predict theoretically and confirm experimentally that the antiferromagnetic (AFM) ground state of bulk gadolinium germanide metalloxene, which has a…

Contrary to prior calculations, the Ni-rich ordered structures of the Cr-Ni alloy system are found to be antiferromagnetic under semi-local density-functional theory. The optimization of local magnetic moments significantly increases the…

Quadruple perovskites ACu$_3$Fe$_2$Re$_2$O$_{12}$ attract considerable interest due to their high Curie temperatures (up to $710$K), which strongly depend on the A-site cation. In this work, we employ first-principles calculations to…

Observation of ferroelectricity among non-d0 systems, which was believed for a long time an unrealistic concept, led to various proposals for the mechanisms to explain the same (i.e. magnetically induced ferroelectricity) during last…

We propose mechanism for pressure-induced transitions between ferromagnetic and antiferromagnetic phases that relies on a competition between characteristic energy scales ubiquitous among $d$-electron metallic magnetic compounds. Principles…

Two-dimensional (2D) magnetic materials with strong magnetostriction are interesting systems for strain-tuning the magnetization, enabling potential for realizing spintronic and nanomagnetic devices. Realizing this potential requires…

The magnetocaloric effect in single crystalline Nd_{0.7}Sr_{0.3}MnO_{3} is investigated by measuring the field-induced adiabatic change in temperature which reveals a single negative peak around 130 K well below the Curie temperature…

Multiferroics, where two or more ferroic order parameters coexist, is one of the hottest fields in condensed matter physics and materials science[1-9]. However, the coexistence of magnetism and conventional ferroelectricity is physically…

Magnetic and magnetocaloric properties of polycrystalline samples of Gd1-xSmxMn2Ge2 have been studied. All the compounds except GdMn2Ge2 show re-entrant ferromagnetic behavior. Multiple magnetic transitions observed in these compounds are…

Cation displacements, oxygen octahedral tilts, and magnetism of epitaxial, ferrimagnetic, insulating GdTiO3 films sandwiched between cubic SrTiO3 layers are studied using scanning transmission electron microscopy and magnetization…

We report on a ternary intermetallic compound, "YMn2Zn20", comprising a pyrochlore lattice made of Mn atoms. A series of In-doped single crystals undergo no magnetic long-range order down to 0.4 K, in spite of the fact that the Mn atom…

Magnetic phases for the intermetallic compound NdMn1.4Co0.6Si2 have been investigated at various temperatures by dc magnetization, neutron diffraction and neutron depolarization. Our study shows multiple magnetic phase transitions with…

We model changes of magnetic ordering in Mn-antiperovskite nitrides driven by biaxial lattice strain at zero and at finite temperature. We employ a non-collinear spin-polarised density functional theory to compare the response of the…

This work presents results for the magnetic properties of the compound GeTe doped with 3d transition metals V, Cr and Mn from the viewpoint of potential application in spintronics. We report a systematic density-functional study of the…