Anomalous Hall effect of facing-target sputtered ferrimagnetic Mn4N epitaxial films with perpendicular magnetic anisotropy

Epitaxial Mn$_{4}$N films with different thicknesses were fabricated by facing-target reactive sputtering and their anomalous Hall effect (AHE) is investigated systematically. The Hall resistivity shows a reversed magnetic hysteresis loop with the magnetic field. The magnitude of the anomalous Hall resistivity sharply decreases with decreasing temperature from 300 K to 150 K. The AHE scaling law in Mn$_{4}$N films is influenced by the temperature-dependent magnetization, carrier concentration and interfacial scattering. Different scaling laws are used to distinguish the various contributions of AHE mechanisms. The scaling exponent $\gamma > 2$ for the conventional scaling in Mn$_{4}$N films could be attributed to the residual resistivity $\rho_{xx0}$. The longitudinal conductivity $\sigma_{xx}$ falls into the dirty regime. The scaling of $\rho_{\rm AH}=\alpha \rho_{xx0} +b\rho_{xx}^{n}$ is used to separate out the temperature-independent $\rho_{xx0}$ from extrinsic contribution. Moreover, the relationship between $\rho_{\rm AH}$ and $\rho_{xx}$ is fitted by the proper scaling to clarify the contributions from extrinsic and intrinsic mechanisms of AHE, which demonstrates that the dominant mechanism of AHE in the Mn$_{4}$N films can be ascribed to the competition between skew scattering, side jump and the intrinsic mechanisms.     

Geometric quantities of lower doubly excited bound states of helium

Expectation values of single electron and interelectronic geometric quantities such as $\langle r\rangle$, $\langle r_{12}\rangle$, $\langle r_<\rangle$, $\langle r_>\rangle$, $\langle \cos\theta_{12}\rangle$ and $\langle \theta_{12}\rangle$ are calculated for doubly excited $2{\rm p}n{\rm p}\,{}^1P^{\,\rm e}\,(3\leq n\leq5),\, 2{\rm p}n{\rm p}\,{}^3\!P^{\,\rm e}\,(2\leq n\leq5)$ and $2{\rm p}n{\rm d}\,{}^{1,3}D^{\,\rm o}\,(3\leq n\leq5)$ states of helium using Hylleraas-$B$-spline basis set. The energy levels converge to at least 10 significant digits in our calculations. The extrapolated values of geometric quantities except for $\langle \theta_{12}\rangle$ reach 10 significant digits as well; $\langle \theta_{12}\rangle$ reaches at least 7 significant digits using a multipole expansion approach. Our results provide a precise reference for future research.     

Incommensurate-commensurate magnetic phase transition in double tungstate Li2Co(WO4)2

Magnetic susceptibility, specific heat, and neutron powder diffraction measurements have been performed on polycrystalline Li$_{2}$Co(WO$_{4}$)$_{2}$ samples. Under zero magnetic field, two successive magnetic transitions at $T_{\rm N1}\sim 9.4$ K and $T_{\rm N2}\sim 7.4$ K are observed. The magnetic ordering temperatures gradually decrease as the magnetic field increases. Neutron diffraction reveals that Li$_{2}$Co(WO$_{4}$)$_{2}$ enters an incommensurate magnetic state with a temperature dependent $\bm k$ between $T_{\rm N1}$ and $T_{\rm N2}$. The magnetic propagation vector locks-in to a commensurate value $\bm k = (1/2, 1/4, 1/4)$ below $T_{\rm N2}$. The antiferromagnetic structure is refined at 1.7 K with Co$^{2+}$ magnetic moment 2.8(1) $\mu_{\rm B}$, consistent with our first-principles calculations.     

Characteristics of temperature fluctuation in two-dimensional turbulent Rayleigh-Bénard convection

We study the characteristics of temperature fluctuation in two-dimensional turbulent Rayleigh–Benard convection in′a square cavity by direct numerical simulations.The Rayleigh number range is 1×10⁸≤Ra≤1×10¹³,and the Prandtl number is selected as Pr=0.7 and Pr=4.3.It is found that the temperature fluctuation profiles with respect to Ra exhibit two different distribution patterns.In the thermal boundary layer,the normalized fluctuationθrms/θrms,max is independent of Ra and a power law relation is identified,i.e.,θrms/θrms,max～(z/δ)0.99±0.01,where z/δis a dimensionless distance to the boundary(δis the thickness of thermal boundary layer).Out of the boundary layer,when Ra≤5×10⁹,the profiles ofθrms/θrms,max descend,then ascend,and finally drop dramatically as z/δincreases.While for Ra≥1×10¹⁰,the profiles continuously decrease and finally overlap with each other.The two different characteristics of temperature fluctuations are closely related to the formation of stable large-scale circulations and corner rolls.Besides,there is a critical value of Ra indicating the transition,beyond which the fluctuation hθrmsiV has a power law dependence on Ra,given by hθrmsiV～Ra?0.14±0.01.     

High-temperature nodal ring semimetal in two-dimensional honeycomb-kagome Mn2N3 lattice

The search for two-dimensional (2D) nodal ring semimetallic materials is a current research hotspot in spintronics, and designing a 2D nodal ring (NR) material with high Curie temperature ($T_{\mathrm{C}})$ and strong robustness to spin-orbit coupling (SOC) is an even greater challenge. Here, based on the first-principles calculations and symmetry analysis, we predict that 2D Mn$_{2}$N$_{3}$ is a nodal ring semimetal (NRSM) with three energy bands near the Fermi energy level consisting of electrons in the same spin channel. An electron-like energy band and two hole-like energy bands near the Fermi plane cross to form two NRs centered at the point $\varGamma $. Symmetry analysis shows that the spin-polarized NR semimetal is robust to SOC due to the conservation of horizontal mirror symmetry. Monte-Carlo simulations further demonstrate that the $T_{\mathrm{C}}$ of the 2D Mn$_{2}$N$_{3}$ reaches 530 K, well above the room temperature. Notably, the 2D Mn$_{2}$N$_{3}$ remains an NRSM on h-BN substrate. Our results not only reveal a general framework for designing 2D NR materials, but also promote further research in the direction of multifunctional quantum devices for spintronics.     

Spin polarization effect for Cr2 molecule

Density functional theory （DFT） （B3P86） of Gaussian 03 has been used to optimize the structure of the Cr2 molecule, a transition metal element molecule. The result shows that the ground state for the Cr2 molecule is a 13- multiple state, indicating that there exists a spin polarization effect in the Cr2 molecule. Meanwhile, we have not found any spin pollution because the wave function of the ground state does not mingle with wave functions of higher-energy states. So the ground state for Cr2 molecule being a 13-multiple state is indicative of spin polarization effect of the Cr2 molecule among transition metal elements, that is, there are 12 parallel spin electrons in the Cr2 molecule. The number of non-conjugated electrons is greatest. These electrons occupy different spatial orbitals so that the energy of the Cr2 molecule is minimized. It can be concluded that the effect of parallel spin in the Cr2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell Sorbie potential functions with the parameters for the ground state and other states of the Cr2 molecule are derived. The dissociation energy De for the ground state of the Cr2 molecule is 0.1034eV, equilibrium bond length Re is 0.3396 nm, and vibration frequency we is 73.81cm^-1. Its force constants f2, f3 and f4 are 0.0835, -0.2831 and 0.3535 aJ. nm^-4 respectively. The other spectroscopic data for the ground state of the Cr2 molecule ωeχe, Be and αe are 1.2105, 0.0562 and 7.2938 x 10^-4cm^-1 respectively.     

Magnetism and giant magnetocaloric effect in rare-earth-based compounds R_3BWO_9(R = Gd,Dy, Ho)

The magnetism and magnetocaloric effect(MCE) of rare-earth-based tungstate compounds R_3 BWO_9(R=Gd,Dy,Ho) have been studied by magnetic susceptibility,isothermal magnetization,and specific heat measurements.No obvious long-range magnetic ordering can be found down to 2 K.The Curie-Weiss fitting and magnetic susceptibilities under different applied fields reveal the existence of weak short-range antiferromagnetic couplings at low temperature in these systems.The calculations of isothermal magnetization exhibit a giant MCE with the maximum changes of magnetic entropy being 54.80 J/kg-K at 2 K for Gd_3 BWO_9,28.5 J/kg-K at 6 K for Dy_3 BWO_9,and 29.76 J/kg-K at 4 K for Ho_3 BWO_9,respectively,under a field change of 0-7 T.Especially for Gd_3 BWO_9,the maximum value of magnetic entropy change(-ΔS_M~(max)) and adiabatic temperature change(-ΔT_(ad)~(max)) are 36.75 J/kg·K and 5.56 K for a low field change of 0-3 T,indicating a promising application for low temperature magnetic refrigeration.     

First-principles investigation of BAs and BxGa1-xAs alloys

First-principles investigation of BAs and BxGa1-xAs alloys Using first-principles calculations in the generalized gradient approximation, the electronic properties of BAs and BxGa1-xAs alloys are studied. At the Brillouin-zone centre, the lowest conduction band is the three-degenerate p-like Г15c state rather than s-like Г1c state, and the conduction band minimum （CBM） is along the A line between the Г and X points-at approximately 11/14（1,0,0）2π/a. With boron content at 0%-18.75%, BxGa1-xAs alloys have a small （2.6 eV） and relatively composition-independent band-gap bowing parameter, the band-gap increases monotonically by -18meV/B% with increasing boron content. In addition, the formation enthalpies of mixing for BxGa1-xAs alloys with boron content at 6.25% and 12.5% are calculated, and the large formation enthalpies may explain the difficulty in alloying boron to GaAs.     

Slight Co-doping tuned magnetic and electric properties on cubic BaFeO3 single crystal

The single crystal of cubic perovskite BaFeO$_{3}$ shows multiple magnetic transitions and external stimulus sensitive magnetism. In this paper, a 5%-Co-doped BaFeO$_{3}$ (i.e. BaFe$_{0.95}$Co$_{0.05}$O$_{3})$ single crystal was grown by combining floating zone methods with high-pressure techniques. Such a slight Co doping has little effect on crystal structure, but significantly changes the magnetism from the parent antiferromagnetic ground state to a ferromagnetic one with the Curie temperature $T_{\rm C} \approx 120$ K. Compared with the parent BaFeO$_{3}$ at the induced ferromagnetic state, the saturated magnetic moment of the doped BaFe$_{0.95}$Co$_{0.05}$O$_{3}$ increases by about 10% and reaches 3.64 $\mu_{\rm B}$/f.u. Resistivity and specific heat measurements show that the ferromagnetic ordering favors metallic-like electrical transport behavior for BaFe$_{0.95}$Co$_{0.05}$O$_{3}$. The present work indicates that Co-doping is an effective method to tune the magnetic and electric properties for the cubic perovskite phase of BaFeO$_{3}$.     

Spin polarization effect for Os2 molecule

Density functional Theory （DFT） （B3p86） of Gaussian03 has been used to optimize the structure of Os2 molecule. The result shows that the ground state for Os2 molecule is 9-multiple state and its electronic configuration is ^9∑^＋g, which shows spin polarization effect of Os2 molecule of transition metal elements for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions with higher energy states. So, the fact that the ground state for Os2 molecule is a 9-multiple state is indicative of spin polarization effect of Os2 molecule of transition metal elements. That is, there exist 8 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Os2 molecule is minimized. It can be concluded that the effect of parallel spin of Os2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell-Sorbie potential functions with the parameters for the ground state ^9∑^＋g and other states of Os2 molecule are derived. Dissociation energy De for the ground state of Os2 molecule is 3.3971eV, equilibrium bond length Re is 0.2403nm, vibration frequency ωe is 235.32cm^-1. Its force constants f2, f3, and f4 are 3.1032×10^2aJ·nm^-2, -14.3425×10^3aJ·nm^-3 and 50.5792×10^4aJ·nm^-4 respectively. The other spectroscopic data for the ground state of Os2 molecule ωexe, Be and ae are 0.4277cm^- 1, 0.0307cm^- 1 and 0.6491 × 10^-4cm^-1 respectively.     

Magnetization and magnetic phase diagrams of a spin-1/2 ferrimagnetic diamond chain at low temperature

We used the Jordan–Wigner transform and the invariant eigenoperator method to study the magnetic phase diagram and the magnetization curve of the spin-1/2 alternating ferrimagnetic diamond chain in an external magnetic field at finite temperature. The magnetization versus external magnetic field curve exhibits a 1/3 magnetization plateau at absolute zero and finite temperatures, and the width of the 1/3 magnetization plateau was modulated by tuning the temperature and the exchange interactions. Three critical magnetic field intensities H_(CB), H_(CE) and H_(CS) were obtained, in which the H_(CB) and H_(CE) correspond to the appearance and disappearance of the 1/3 magnetization plateau, respectively, and the higher H_(CS) correspond to the appearance of fully polarized magnetization plateau of the system. The energies of elementary excitation ωσ,k(σ = 1, 2, 3) present the extrema of zero at the three critical magnetic fields at 0 K, i.e., [hω_(3,k)(HCB)]_(min)= 0, [hω_(2,k)(H_(CE))]_(max)= 0 and [hω _(2,k)(H_(CS))]_(min)= 0, and the magnetic phase diagram of magnetic field versus different exchange interactions at 0 K was established by the above relationships. According to the relationships between the system's magnetization curve at finite temperatures and the critical magnetic field intensities, the magnetic field-temperature phase diagram was drawn. It was observed that if the magnetic phase diagram shows a three-phase critical point, which is intersected by the ferrimagnetic phase, the ferrimagnetic plateau phase, and the Luttinger liquid phase, the disappearance of the1/3 magnetization plateau would inevitably occur. However, the 1/3 magnetization plateau would not disappear without the three-phase critical point. The appearance of the 1/3 magnetization plateau in the low temperature region is the macroscopic manifestations of quantum effect.     

Spontaneous magnetostriction of Y2Fe16Al compound

The structure and magnetic properties of Y₂Fe₁₆Al compound have been investigated by means of x-ray diffraction and magnetization measurements. The Y₂Fe Fe₁₆Al compound has a hexagonal Th$_{2}$Ni$_{17}$-type structure. Negative thermal expansion was found in Y₂Fe₁₆Al compound in the temperature range from 332 to 438K by x-ray dilatometry. The coefficient of the average thermal expansion is \alpha =-3.4\times 10^-5K^-1. The spontaneous magnetostrictive deformations from 293 to 427K have been calculated based on the differences between the experimental values of the lattice parameters and the corresponding values extrapolated from the paramagnetic range. The result shows that the spontaneous volume magnetostrictive deformation \textit{$\omega $}$_{\rm S}$ decreases from 5.4$\times $10^-3to near zero with temperature increasing from 293 to 427K, the spontaneous linear magnetostrictive deformation \textit{$\lambda $}$_{\rm c}$ along the $c$ axis is much larger than the spontaneous linear magnetostrictive deformation \textit{$\lambda $}$_{\rm a}$ in basal-plane in the same temperature range except near 427K.     

Superconducting properties of the C15-type Laves phase ZrIr2 with an Ir-based kagome lattice

We report systematic studies on superconducting properties of the Laves phase superconductor ZrIr$_2$. It crystallizes in a C15-type (cubic MgCu$_2$-type, space group $Fd\overline{3}m$) structure in which the Ir atoms form a kagome lattice, with cell parameters $a=b=c=7.3596(1)$ Å. Resistivity and magnetic susceptibility measurements indicate that ZrIr$_2$ is a type-II superconductor with a transition temperature of 4.0 K. The estimated lower and upper critical fields are 12.8 mT and 4.78 T, respectively. Heat capacity measurements confirm the bulk superconductivity in ZrIr$_2$. ZrIr$_2$ is found to possibly host strong-coupled s-wave superconductivity with the normalized specific heat change $\Delta C_{\rm e}/\gamma T_{\rm c} \sim 1.86$ and the coupling strength $\Delta_0/k_{\rm B}T_{\rm c} \sim 1.92$. First-principles calculations suggest that ZrIr$_2$ has three-dimensional Fermi surfaces with simple topologies, and the states at Fermi level mainly originate from the Ir-5d and Zr-4d orbitals. Similar to SrIr$_2$ and ThIr$_2$, spin--orbit coupling has dramatic influences on the band structure in ZrIr$_2$.     

The effect of doped ions on single-molecule magnets of the Mn12-Ac family

This paper investigates the single-molecule magnets of pure and Cr/Fe-doped Mn12-Ac. The components of the mixed crystals are identified by AC susceptibility technique. The ground-state spin and anisotropy parameters of doped Mn12-Ac are obtained： （i） MnllCr-Ac （S=19/2, D=0.62K, B=0.0009K, A=63K）, and （ii） Mn11Fe-Ac （S=21/2, D=0.39 K, B=0.001 K, △=55 K）. The single-ion origin of the magnetic anisotropy is discussed.     

Anomalous magnetic properties of an iron film system deposited on fracture surfaces of α-Al2O3 ceramics

An iron film percolation system is fabricated by vapour-phase deposition on fracture surfaces of α-Al2O3 ceramics. The zero-field-cooled （ZFC） and field-cooled （FC） magnetization measurement reveals that the magnetic phase of the film samples evolve from a high-temperature ferromagnetic state to a low-temperature spin-glass-like state, which is also demonstrated by the temperature-dependent ac susceptibility of the iron films. The temperature dependence of the exchange bias field He of the iron film exhibits a minimum peak around the temperature T=5 K, which is independent of the magnitude of the cooling field Hcf. However, for T 〉 10K, （1） He is always negative when Hcf=2kOe and （2） for Hcf= 20 kOe （1Oe≈80 A/m）, He changes from negative to positive values as T increases. Our experimental results show that the anomalous hysteresis properties mainly result from the oxide surfaces of the films with spin-glass-like phase.     

Tailored martensitic transformation and enhanced magnetocaloric effect in all-d-metal Ni35Co15Mn33Fe2Ti15 alloy ribbons

The crystal structure, martensitic transformation and magnetocaloric effect have been studied in all-$d$-metal Ni$_{35}$Co$_{15}$Mn$_{33}$Fe$_{2}$Ti$_{15}$ alloy ribbons with different wheel speeds (15 m/s (S15), 30 m/s (S30), and 45 m/s (S45)). All three ribbons crystalize in B2-ordered structure at room temperature with crystal constants of 5.893(2) Å, 5.898(4) Å, and 5.898(6) Å, respectively. With the increase of wheel speed, the martensitic transformation temperature decreases from 230 K to 210 K, the Curie temperature increases slightly from 371 K to 378 K. At the same time, magnetic entropy change ($\Delta S_{\rm m}$) is also enhanced, as well as refrigeration capacity ($RC$). The maximum $\Delta S_{\rm m}$ of 15.6(39.7) J/kg$\cdot$K and $RC$ of 85.5 (212.7) J/kg under $\Delta H = 20$ (50) kOe (1 ${\rm Oe}=79.5775$ A$\cdot$m$^{-1}$) appear in S45. The results indicate that the ribbons could be the candidate for solid-state magnetic refrigeration materials.     

High-pressure study of topological semimetals XCd2Sb2 (X = Eu and Yb)

Topological materials have aroused great interest in recent years, especially when magnetism is involved. Pressure can effectively tune the topological states and possibly induce superconductivity. Here we report the high-pressure study of topological semimetals $X$Cd$_{2}$Sb$_{2}$ ($X = {\rm Eu} $ and Yb), which have the same crystal structure. In antiferromagnetic (AFM) Weyl semimetal EuCd$_{2}$Sb$_{2}$, the Néel temperature (${T}_{\rm N}$) increases from 7.4 K at ambient pressure to 50.9 K at 14.9 GPa. When pressure is above 14.9 GPa, the AFM peak of resistance disappears, indicating a non-magnetic state. In paramagnetic Dirac semimetal candidate YbCd$_{2}$Sb$_{2}$, pressure-induced superconductivity appears at 1.94 GPa, then ${ T}_{\rm c}$ reaches to a maximum of 1.67 K at 5.22 GPa and drops to zero at about 30 GPa, displaying a dome-shaped temperature-pressure phase diagram. High-pressure x-ray diffraction measurement demonstrates that a crystalline-to-amorphous phase transition occurs at about 16 GPa in YbCd$_{2}$Sb$_{2}$, revealing the robustness of pressure-induced superconductivity against structural instability. Similar structural phase transition may also occur in EuCd$_{2}$Sb$_{2}$, causing the disappearance of magnetism. Our results show that $X$Cd$_{2}$Sb$_{2}$ ($X = {\rm Eu}$ and Yb) is a novel platform for exploring the interplay among magnetism, topology, and superconductivity.     

Magnetic properties and magnetocaloric effect in RE55Co30Al10Si5 (RE = Er and Tm) amorphous ribbons

The magnetic and magnetocaloric effects (MCE) of the amorphous $RE_{55}$Co$_{30}$Al$_{10}$Si$_{5}$ ($RE={\rm Er}$ and Tm) ribbons were systematically investigated in this paper. Compounds with $R ={\rm Er}$ and Tm undergo a second-order magnetic phase transition from ferromagnetic (FM) to paramagnetic (PM) around Curie temperature $T_{\rm C} \sim 9.3$ K and 3 K, respectively. For Er$_{55}$Co$_{30}$Al$_{10}$Si$_{5}$ compound, an obvious magnetic hysteresis and thermal hysteresis were observed at low field below 6 K, possibly due to spin-glass behavior. Under the field change of 0 T-5 T, the maximum values of magnetic entropy change ($-\Delta S_{\rm M}^{\rm max}$) reach as high as 15.6 J/kg$\cdot$K and 15.7 J/kg$\cdot$K for Er$_{55}$Co$_{30}$Al$_{10}$Si$_{5}$ and Tm$_{55}$Co$_{30}$Al$_{10}$Si$_{5}$ compounds, corresponding refrigerant capacity (RC) values are estimated as 303 J/kg and 189 J/kg, respectively. The large MCE makes amorphous $RE_{55}$Co$_{30}$Al$_{10}$Si$_{5 }$ ($RE={\rm Er}$ and Tm) alloys become very attractive magnetic refrigeration materials in the low-temperature region.     

Investigation of analytical harmonic frequency and potential energy function,vibrational levels for the X^2∑^＋ and A^2Л states of CN radical

This paper calculates the equilibrium structure and the potential energy functions of the ground state （X^2∑^＋） and the low lying excited electronic state （A^2Л） of CN radical are calculated by using CASSCF method. The potential energy curves are obtained by a least square fitting to the modified Murrell-Sorbie function. On the basis of physical theory of potential energy function, harmonic frequency （ωe） and other spectroscopic constants （ωeχe, βe and αe） are calculated by employing the Rydberg-Klei-Rees method. The theoretical calculation results are in excellent agreement with the experimental and other complicated theoretical calculation data. In addition, the eigenvalues of vibrational levels have been calculated by solving the radial one-dimensional SchrSdinger equation of nuclear motion using the algebraic method based on the analytical potential energy function.