相关论文: Ab-initio study of the beta Fe2O3 phase

We study a one-dimensional antiferromagnetic-elastic model with magnetic ions having spin $S=3/2$. By extensive DMRG computations and complementary analytical methods, we uncover a first-order transition from a homogeneous or…

The binary compound V$_3$Ga can exhibit two near-equilibrium phases, consisting of the A15 structure that is superconducting, and the Heusler D0$_3$ structure that is semiconducting and antiferromagnetic. Density functional theory…

We report single crystal growth and magnetic susceptibility and neutron diffraction studies of the S=1/2 quasi-1D antiferromagnet CaCu2O3. The structure of this material is similar to that of the prototype two-leg spin-ladder compound…

Electronic structure Korringa-Kohn-Rostoker calculations for the $\sigma$-phase in Fe$_{100-x}$V$_x$ were performed in compositional range of its occurance ($\sim 34 \le x \le \sim 65$). Fe and V magnetic moments and hyperfine fields were…

Up to now, for the conventional exchange bias (EB) systems there has been one pinning phase and one pinned phase, and the pinning and pinned phases are inherent to the material and do not mutually transform into each other. Interestingly,…

Neutron diffraction and nuclear quadrupole resonance (NQR) measurements were employed to investigate magnetic order in the non-ferroelectric phase preceding the low-temperature multiferroic state in FeTe2O5Br. Refnement of the neutron…

The coupling between structural, electronic and magnetic degrees of freedom across the metal-insulator transition in V2O3 makes it hard to determine the main driving mechanism behind the transition. Specifically, the role of magnetism has…

The paper presents a computational study of the ground-state magnetic phases of a selected bilayer graphene nanoflake in external electric field and magnetic field. The electric field has parallel and perpendicular component while the…

We studied structural, electronic and magnetic properties of a cubic perovskite BaFeO$_{3-\delta}$ ($0 \le \delta \le 0.5$) within the density functional theory using a generalized gradient approximation and a GGA+U method. According to our…

Motivated by the recent synthesis of two-dimensional $\alpha$-Fe$_2$O$_3$ [Balan $et$ $al.$ Nat. Nanotech. 13, 602 (2018)], we analyze the structural, vibrational, electronic and magnetic properties of single- and few-layer…

The mechanical and magnetic properties of the newly discovered MAB-phase class of materials based upon AlFe2B2 were investigated. The samples were synthesised from stoichiometric amounts of all constituent elements. X-ray diffraction shows…

Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…

We investigate magnetic ordering in metallic Ba[Fe(1-x)Mn(x)](2)As(2) and discuss the unusual magnetic phase, which was recently discovered for Mn concentrations x > 10%. We argue that it can be understood as a Griffiths-type phase that…

Magnetic 2D materials enable novel tuning options of magnetism. As an example, the van der Waals material FePS3, a zigzag-type intralayer antiferromagnet, exhibits very strong magnetoelastic coupling due to the different bond lengths along…

The fcc spin-1 Ising (BEG) model has a dense ferromagnetic ($df$) ground state instead of the ferromagnetic ground state at low temperature region and exhibits the dense ferromagnetic ($df$) - ferromagnetic ($F$) phase transition for…

We use Monte Carlo simulation to determine the stable structures in the second-neighbour Ising model on the face-centred cubic lattice. Those structures are L1_1 for strongly antiferromagnetic second neighbour interactions and L1_0 for…

In this article a detailed study of La$_{1-x}$Ca$_x$MnO$_3$ ($0\leq x \leq 0.23$) phase diagram using powder x-ray diffraction and magnetization measurements is presented. Unfortunately, in the related literature no properly characterized…

The antiferromagnetic (AFM) state has been investigated in the three heavy-fermion compounds URu2Si2, UPd2Al3, and UNi2Al3 by measuring dV/dI(V) curves of point contacts at different temperatures (1.5-20 K) and magnetic fields (0-28 T). The…

We discuss possible magnetic structures in UPt$_3$ based on our analysis of elastic neutron-scattering experiments in high magnetic fields at temperatures $T<T_N$. The existing experimental data can be explained by a single-{\bf q}…

High temperature one-dimensional (1D) ferromagnetic (FM) chains in Ca3Co2O6 spin system are subjected to a magnetic field and temperature induced first order phase transition (FOPT) to 3D ferrimagnetic (FIM) ground state with decrease in…