Ferromagnetism of V-doped ZnO nanowires

The geometry structures,electronic structures,and magnetic properties of Zn46V2O48 nanowires are studied by density functional theory（DFT） calculations.We find that the ferromagnetic（FM） coupling is more stable for six configurations of Zn46V2O48 nanowires,and is mediated by neighboring O as evidenced from the strong hybridization of V 3d and O 2p states,exhibiting strong spin polarization.The spin polarization is found to be 100% in the Zn46V2O48 nanowires,which confirms that it is a half-metallic ferromagnet and very suitable for the injection of the spin carriers,which shows that Zn46V2O48 nanowire is one of the ideal materials to realize spin electronic devices.At the same time,the magnetic coupling mechanisms of Zn46V2O48 nanowires are analyzed with V 3d and O 2p orbitals and their magnetic moments mainly come from the contributions of the unpaired electrons of V 3d orbitals.The above results provide a theoretical basis for the preparation of 3d transition metal-doped ZnO nanowire materials.

Structure and magnetic properties of Osn （n=11～22） clusters

The structure and magnetic properties of Osn （n=11～22） clusters are systematically studied by using density functional theory （DFT）. For each size, the average binding energy per atom, the second-order differences of total energies and the highest occupied molecular orbital （HOMO）–the lowest unoccupied molecular orbital （LUMO） gaps are calculated to analyze the stability of the cluster. The structures of Os14 and Os18 clusters are based on a close-packed hexagonal structure, and they have maximum stabilities, so n=14, 18 are the magic numbers. The 5d electrons play a dominant role in the chemical reaction of Osn clusters. The magnetic moments of Osn clusters are quenched around n=12, and when n=18～22 the value approximates to zero, due to the difference of electron transfer.

Tunable Electronic and Magnetic Properties from Structure Phase Transition of Layered Vanadium Diselenide

The atomic geometry, structure stability, electronic and magnetic properties of VSe2 were systematically investigated based on the density functional theory（DFT）. Varying from 3D to 2D four VSe2 structures, bulk 2H-VSe2 and 1T-VSe2, monolayer H-VSe2 and T-VSe2 are all demonstrated as thermodynamically stable by lattice dynamic calculations. More interestingly, the phase transition temperature is dramatically different due to the lattice size. Finally, owing to different crystal structures, H-VSe2 is semimetallic whereas T-VSe2 is totally metallic and also they have different magnetic moments. Our main argument is that being exfoliated from bulk to monolayer, 2H-VSe2 transforms to T-VSe2, accompanied by both semimetallic-metallic transition and dramatic magnetic moment variation. Our calculations provide a novel structure phase transition and an efficient way to modulate the electronic structure and magnetic moment of layered VSe2, which suggests potential applications as high-performance functional nanomaterial.

Study of magnetic and optical properties of Zn1-xTMxTe(TM = Mn,Fe,Co,Ni) diluted magnetic semiconductors：First principle approach

We present structural,magnetic and optical characteristics of Zn_（1-x）TM_xTe（TM = Mn,Fe,Co,Ni and x = 6.25%）,calculated through Wien2 k code,by using full potential linearized augmented plane wave（FP-LAPW） technique.The optimization of the crystal structures have been done to compare the ferromagnetic（FM） and antiferromagnetic（AFM） ground state energies,to elucidate the ferromagnetic phase stability,which further has been verified through the formation and cohesive energies.Moreover,the estimated Curie temperatures T_c have demonstrated above room temperature ferromagnetism（RTFM） in Zn_（1-x）TM_xTe（TM =Mn,Fe,Co,Ni and x= 6.25%）.The calculated electronic properties have depicted that Mn- and Co-doped ZnTe behave as ferromagnetic semiconductors,while half-metallic ferromagnetic behaviors are observed in Fe- and Ni-doped ZnTe.The presence of ferromagnetism is also demonstrated to be due to both the p-d and s-d hybridizations between the host lattice cations and TM impurities.The calculated band gaps and static real dielectric constants have been observed to vary according to Penn＇s model.The evaluated band gaps lie in near visible and ultraviolet regions,which make these materials suitable for various important device applications in optoelectronic and spintronic.

Magnetization dynamics of mixed Co–Au chains on Cu(110) substrate:Combined ab initio and kinetic Monte Carlo study

We present an investigation of the one-dimensional ferromagnetism in Au–Co nanowires deposited on the Cu（110）surface. By using the density functional theory, the influence of the nonmagnetic copper substrate Cu（110） on the magnetic properties of the bimetallic Au–Co nanowires is studied. The results show the emergence of magnetic anisotropy in the supported Au–Co nanowires. The magnetic anisotropy energy has the same order of magnitude as the exchange interaction energy between Co atoms in the wire. Our electronic structure calculation reveals the emergence of new hybridized bands between Au and Co atoms and surface Cu atoms. The Curie temperature of the Au–Co wires is calculated by means of kinetic Monte Carlo simulation. The strong size effect of the Curie temperature is demonstrated.

Observational Features of Large-Scale Structures as Revealed by the Catastrophe Model of Solar Eruptions

Large-scale magnetic structures are the main carrier of major eruptions in the solar atmosphere. These structures are rooted in the photosphere and are driven by the unceasing motion of the photospheric material through a series of equilibrium configurations. The motion brings energy into the coronal magnetic field until the system ceases to be in equilibrium. The catastrophe theory for solar eruptions indicates that loss of mechanical equilibrium constitutes the main trigger mechanism of major eruptions, usually shown up as solar flares, eruptive prominences, and coronal mass ejections （CMEs）. Magnetic reconnection which takes place at the very beginning of the eruption as a result of plasma instabilities/turbulence inside the current sheet, converts magnetic energy into heating and kinetic energy that are responsible for solar flares, and for accelerating both plasma ejecta （flows and CMEs） and energetic particles. Various manifestations are thus related to one another, and the physics behind these relationships is catastrophe and magnetic reconnection. This work reports on recent progress in both theoretical research and observations on eruptive phenomena showing the above manifestations. We start by displaying the properties of large-scale structures in the corona and the related magnetic fields prior to an eruption, and show various morphological features of the disrupting magnetic fields. Then, in the framework of the catastrophe theory, we look into the physics behind those features investigated in a succession of previous works, and discuss the approaches they used.

Effective-field and Monte Carlo studies of mixed spin-2 and spin-1/2 Ising diamond chain

The magnetic properties of a mixed spin-2 and spin-1/2 ferromagnetic diamond chain are studied by effective-field theory and Monte Carlo（MC） simulation based on the Ising model.The temperature dependences of magnetization,magnetic susceptibility,internal energy,and specific heat are studied,respectively.The exchange interaction dependences of magnetization and the critical temperature are calculated by MC simulation.The changes of magnetization depending on the field increasing and then the field decreasing under steady-static conditions are also given.

Magnetic emission intensity enhancement for amorphous alloys by constructing a multi-phase structure withα-Fe nanocrystals

The perturbation in the magnetic field generated by the rotation or oscillation of magnetic domains in magnetic materials can emit low-frequency electromagnetic waves,which are expected to be used in low-frequency communications.However,the magnetic emission intensity,defined by the perturbation ability,of current commercially applied amorphous alloys,such as Metglas,cannot meet the application requirements for low-frequency antennas due to the domain motion energy loss.Herein,a multi-phase Metglas amorphous alloy was constructed by incorporatingα-Fe nanocrystals using rapid annealing to manipulate the domain movement.It was found that 3.89 times higher magnetic emission intensity is obtained compared to the pristine due to the synergism of the deformation and displacement mechanisms.Moreover,the low-frequency magnetic emission performance verification was carried out by preparing magnetoelectric composites as the antenna vibrator by assembling the alloy and macro piezoelectric fiber composites(MFC).Enhancements of magnetic emission intensity are found at 93.3%and 49.2%at the first and second harmonic frequencies compared with the unmodified alloy vibrator.Therefore,the approach leads to the development of high-performance communication with a novel standard for evaluation.

WEAK AND SMOOTH GLOBAL SOLUTION FOR LANDAU-LIFSHITZ-BLOCH-MAXWELL EQUATION

This paper is devoted to investigate the existence and uniqueness of the solution of Landau-Lifshitz-Bloch-Maxwell equation.The Landau-LifshitzBloch-Maxwell equation,which fits well for a wide range of temperature,is used to study the dynamics of magnetization vector in a ferromagnetic body.If the initial data is in(H1,L2,L2),the existence of the global weak solution is established.If the initial data is in(Hm+1,Hm,Hm)(m≥1),the existence and uniqueness of the global smooth solution are established.