Related papers: Ab-initio study of the beta Fe2O3 phase
The FeRh alloy is an attractive material for studies of magnetic first-order phase transitions. The phase transition in FeRh from an antiferromagnetic to the ferromagnetic state is accompanied by the nucleation, growth, and merging of…
Altermagnetism, a newly discovered magnetic phase, has spurred growing research activity. Studies from a perspective of dynamical electronic correlation still remain scarce. Employing density functional theory plus dynamical mean-field…
BaFe$_2$S$_3$ is a quasi-one-dimensional antiferromagnetic insulator that becomes superconducting under hydrostatic pressure. The magnetic ordering temperature, $T_N$, as well as the presence of superconductivity have been found to be…
To resolve the microscopic origin of magnetism in the Fe2O3/FeTiO3-system, we have performed density functional theory calculations taking into account on-site Coulomb repulsion. By varying systematically the concentration, distribution and…
Electronic structure of FeGa3 has been studied using experiments and ab-initio calculations. Magnetization measurements show that FeGa3 is inherently diamagnetic in nature. Our studies indicate that the previously reported magnetic moment…
Perovskite manganites with small A-site ions, as the first and canonical branch of type-II multiferroics, are ideal systems to exhibit magnetism-induced ferroelectricity. Despite their established magnetoelectric phase diagrams under low…
Recent experimental work shows that FePS$_3$ undergoes phase transitions from $C2/m$ ($\beta\sim107^{\circ}$) to $C2/m$ ($\beta\sim90^{\circ}$) at $6$ GPa and then to metallic $P\bar{3}1m$ at $14$ GPa, with the magnetic ordering wave vector…
The compound, Nd7Rh3, crystallizing in Th7Fe3-type hexagonal structure, was previously known to exhibit two magnetic transitions, one at 32 K and the other at 10 K (in zero magnetic field). Here, we report the existence of a field-induced…
Cementite-type carbides are of interest for magnetocaloric applications owing to their temperature- or pressure-induced magnetic phase transition. Here, using first-principles calculations, we investigate the magnetism and the magnetic…
The cubic Fe2-xMnxO3 is an intriguing material that has recently been investigated for various applications, including lithium-ion battery anodes, catalysts, energy storage media, humidity sensors, and photocatalysts. Despite its wide range…
We study electronic properties of AA-stacked graphene bilayers. In the single-particle approximation such a system has one electron band and one hole band crossing the Fermi level. If the bilayer is undoped, the Fermi surfaces of these…
Discontinuous magnetic multilayers [CoFe/Al2O3] are studied by use of magnetometry, susceptometry and numeric simulations. Soft ferromagnetic Co80Fe20 nanoparticles are embedded in a diamagnetic insulating a-Al2O3 matrix and can be…
Alpha-Fe2O3 and alpha-Cr2O3 has been mechanical alloyed to prepare Fe1-xCrxO3 oxides for x = 0.2-0.8. Synchrotron X-ray diffraction and Raman spectra have shown inhomogeneous structure of {\alpha}-Fe2O3 and {\alpha}-Cr2O3 phases in…
Resistivity under pressure and magnetization measurements on Ba$_{1-x}$Sr$_x$VS$_3$ single crystals with 0 $\leq x \leq$ 0.18 and no sulphur deficiency show an abrupt onset of ferromagnetic (FM) order at a critical value $x$=0.07,…
Theoretical predictions of the magnetic anisotropy of antiferromagnetic materials are demanding due to a lack of experimental techniques which are capable of a direct measurement of this quantity. At the same time it is highly significant…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
Altermagnetism is a new magnetic phase with k-dependent spin polarization and may exist in an insulating state with a high N\'eel temperature. This provides a new opportunity to obtain both spin and electric polarization in one material.…
Investigation of the magnetism of Cu$_3$Mo$_2$O$_9$ single crystal, which has antiferromagnetic (AF) linear chains interacting with AF dimers, reveals an AF second-order phase transition at $T_{\rm N} = 7.9$ K. Although weak…
The bulk samples of CuO and Fe-doped CuO were synthesized by ceramics methods. Structural and compositional analyses were performed by using X-ray diffraction, SEM, and EDAX. Through this manuscript, we are going to report the effect of…
We report the magnetic, magnetocaloric, and magnetotransport properties of the semi-Heusler alloy Cu0.85Ni0.15MnSb, which exhibits coexistence of antiferromagnetic (AFM) and ferromagnetic (FM) phases. A broad magnetic phase transition is…