Related papers: Ab-initio study of the beta Fe2O3 phase
We investigate the electronic structure of BaIrO3, an interesting compound exhibiting charge density wave transition in its insulating phase and ferromagnetic transition at the same temperature, using full potential linearized augmented…
A correlation between the crystal structure and magnetic properties of system (1-x)BiFeO$_3$-(x)BaTiO$_3$ with compounds across the morphotropic phase boundary was studied using X-ray and neutron diffraction, magnetometry, and Mossbauer…
Taking the pseudobinary C15-Laves phase compound Ce(Fe$_{0.96}$Al$_{0.04}$)$_2$ as a paradigm for studying a ferromagnetic(FM) to antiferromagnetic(AFM) phase transition, we present interesting thermomagnetic history effects in…
The electronic structure of the cubic and (high pressure) hexagonal phases of Eu2O3 have been investigated by mean of full potential linearized augmented plane wave calculations, within the LDA+U method. For the cubic phase, the comparison…
We provide a complete and systematic first-principles study of the thermodynamic stability, structural parameters, and magnetic properties of the T1 non-collinear antiferromagnetic L1$_2$-IrMn$_3$ surface and L1$_2$-IrMn$_3$/Fe…
Among the family of intercalated transition-metal dichalcogenides (TMDs), Fe$_{x}$NbS$_2$ is found to possess unique current-induced resistive switching behaviors, tunable antiferromagnetic states, and a commensurate charge order, all of…
Magnetism is one of the largest, most fundamental, and technologically most relevant fields of condensed-matter physics. Traditionally, two basic magnetic phases have been considered -- ferromagnetism and antiferromagnetism. The breaking of…
In this report, the magnetic behaviour of $NiCr_{2}O_{4}$ bulk and nanoparticle samples under different applied magnetic field has been investigated extensively. Nanoparticles of $NiCr_{2}O_{4}$ were obtained by mechanical milling of…
Using the real-space Hartree Fock approximation, the magnetic phase diagram of a five-orbital Hubbard model for the iron-based superconductors is studied varying the electronic density $n$ in the range from 5 to 7 electrons per transition…
We report results of 51V NMR experiments on a high-quality powder sample of volborthite Cu3V2O7(OH)2/2H2O, a spin-1/2 Heisenberg antiferromagnet on a distorted kagome lattice. Following the previous experiments in magnetic fields $B$ below…
The chemical, structural, mechanical, and dynamical stabilities of the $\alpha$- and $\beta$-Ga$_2$O$_3$ are confirmed from respective negative formation energies, negative cohesive energies, favorable elastic constants, and positive phonon…
The antiferromagnetism in $\alpha$-Cu$_3$Mg(OH)$_6$Br$_2$ was studied by magnetic-susceptibility, specific-heat and neutron-diffraction measurements. The crystal structure consists of Cu$^{2+}$ kagome layers with Mg$^{2+}$ ions occupying…
The crystal and magnetic structures of the orthorhombic e-Fe2O3 have been studied by simultaneous Rietveld refinement of X-ray and neutron powder diffraction data in combination with Mossbauer spectroscopy, as well as magnetisation and heat…
The random substitutional solid solution between the antiferromagnetic (AFM) full-Heusler alloy Ru$_2$MnSn and the ferromagnetic (FM) full-Heusler alloy Ru$_2$FeSn provides a rare opportunity to study FM-AFM phase competition in a…
We report on neutron diffraction, magnetoresistance, magnetization, and magnetic torque measurements under high magnetic field in the helical antiferromagnet CeVGe$_3$. This compound exhibits Kondo lattice coherence and helical…
Using ab initio Density Functional Theory (DFT) calculations, we investigate the electronic structure, phase stability, and magnetic properties of equiatomic binary alloys between Al and 3d magnetic transition elements (Cr, Mn, Fe, Co, and…
Using density functional theory (DFT) with local density approximation (LDA) and generalized gradient approximation (GGA) correlation functionals, the electronic and magnetic structures of cubic BaFeO$_{3}$ in the ferromagnetic (FM) and…
The different magnetic phases of the intermetallic compound Nd$_5$Ge$_3$ are studied in terms of the specific heat, in a broad range of temperatures (350~mK--140~K) and magnetic fields (up to 40 kOe). The expected $T^{3}$ and $T^{3/2}$…
Exchange bias (EB) phenomena have been observed in Nd2/3Ca1/3MnO3 colossal magnetoresistance perovskite below the Curie temperature $T_{C}$ = 70 K and attributed to an antiferromagnetic (AFM) - ferromagnetic (FM) spontaneous phase…
Using novel instrumentation to combine extreme conditions of intense pulsed magnetic field up to 60~T and high pressure up to 4~GPa, we have established the three-dimensional (3D) magnetic field - pressure - temperature phase diagram of a…