相关论文: First Principle Study of Magnetism and Magneto-str…

We present a theoretical study of the structure-property correlation in gallium ferrite, based on the first principles calculations followed by a subsequent comparison with the experiments. Local spin density approximation (LSDA+U) of the…

Temperature dependent X-ray diffraction and Raman spectroscopic studies were carried out on the flux grown single crystals of gallium ferrite with Ga:Fe ratio of 0.9:1.1. Site occupancy calculations from the Rietveld refinement of the X-ray…

We show the effect of composition on structural and magnetic characteristics of pure phase polycrystalline Ga<2-x>Fe<x>O<3> (GFO) for compositions between 0.8 <= x <= 1.3. X-ray analysis reveals that lattice parameters of GFO exhibit a…

We suggest here the method of the mapping of DFT calculations on the multiorbital model in a following way: the parameters of the formulated multiorbital model should be determined from the requirement that the self-consistent charge and…

Based on first-principles density-functional theory calculations we investigate the electronic structure of hexanuclear "ferric wheels" M Fe_6[N(CH_2 CH_2 O)_3]_6 Cl (M = Li, Na) in their antiferromagnetic ground state. The electronic…

Among the ferromagnetic binary alloys, body centered cubic (bcc) Fe-Co is the one showing the highest magnetization. It is known experimentally that ordered Fe-Co structures show a larger magnetization than the random solid solutions with…

The coexistence of ferromagnetism and superconductivity in RuSr$_2$GdCu$_2$O$_8$ was reported both from experiments (by Tallon et. al.) and first-principles calculations (by Pickett et. al.). Here we report that our first-principles…

A consistent picture on the mean-field level of the magnetic properties and electronic structure of the superconducting itinerant ferromagnet UGe$_2$ is shown to require inclusion of correlation effects beyond the local density…

We report the comprehensive experimental results identifying the magnetic spin ordering and the magnetization dynamics of a double perovskite Pr2CoFeO6 by employing the (dc and ac) magnetization, powder neutron diffraction (NPD) and X-ray…

Incomplete cancellation of collinear antiparallel spins gives rise to ferrimagnetism. Even if the oppositely polarized spins are owing to the equal number of a single magnetic element having the same valence state, in principle, a…

We investigate the effect of low-coordinated surface atoms on the defect-induced magnetism in MgO nanocrystallites using hybrid density functional theory calculations. It has been demonstrated that when Mg vacancies are introduced at the…

A continuum approach to study magnetoelectric multiferroic $\mathrm{BiFeO}_3$ (BFO) is proposed. Our modeling effort marries the ferroelectric (FE) phase field method and micromagnetic simulations in order to describe the entire…

In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of…

In this review, we present a summary of experimental studies of magnetism in Fe-based superconductors. The doping dependent phase diagram shows strong similarities to the generic phase diagram of the cuprates. Parent compounds exhibit…

Magnetic and electronic structures in LaFeAsO in the single-stripe-type antiferromagnetic (AFM) phase are studied using first-principles density-functional calculations including the spin-orbit interaction. We show that the longitudinal…

Ferrimagnet (FiM), (FeCo)1-xGdx, attracts research attention due to its ultrafast magnetic dynamics and finite net magnetization. Incorporating FiM into the magnetic tunnel junction will be beneficial to further improve the writing speed of…

We study theoretically the dynamics of composite domain walls (DW) in multiferroic material GdFeO${}_3$ driven by magnetic field $H$. Two antiferromagnetic orders of Fe and Gd spins interact Gd-ion displacement in this system with coupling…

We report a magnetic x-ray scattering study of the field-induced multiferroic GdFe3(BO3)4. Resonant x-ray magnetic scattering at the Gd LII,III edges indicates that the Gd moments order at TN ~ 37 K. The magnetic structure is incommensurate…

Based on density functional theory combined with low-energy models, we explore the magnetic properties of a hybrid atomic-thick two-dimensional (2D) material made of Germanene doped with fluorine atoms in a half-fluorinated configuration…

We consider magnetostriction in magnetic materials. Starting from a microscopic lattice model of the magneto-elastic coupling, we derive the continuum magnetostriction Hamiltonian in cubic ferromagnets and antiferromagnets. In ferromagnets,…