Synthesis and characterization of magnetic diphase ZnFe(2)O(4) /γ-Fe(2)O(3) electrospun fibers

Magnetic nanofibers of ZnFe₂O₄/γ-Fe₂O₃ composite were synthesized by electrospinning from a sol-gel solution containing a molar ratio (Fe/Zn) of 3. The effects of the calcination temperature on phase composition, particle size and magnetic properties have been investigated. Zinc ferrite fibers were obtained by calcinating the electrospun fibers in air from 300 to 800 °C and characterized by thermogravimetric analyses, Fourier transformed infrared spectroscopy, X-ray photoemission spectroscopy, X-ray diffraction, vibration sample magnetometry and magnetic force microscopy. The resulting fibers, with diameters ranging from 90 to 150 nm, were ferrimagnetic with high saturation magnetization as compared to bulk. An increase in the calcination temperature resulted in an increase in particle size and saturation magnetization. The observed increase in saturation magnetization was most likely due to the formation and growth of ZnFe₂O₄/γ-Fe₂O₃ diphase crystals. The highest saturation magnetization (45 emu/g) was obtained for fibers calcined at 800 °C.     

“Nonmagnetic” (antiferromagnetic) magnetic polaron

It is shown that, within deep narrow quantum potential wells in systems based on semimagnetic semiconductors containing Mn²⁺ ions, both magnitude and sign of the exchange interaction between electrons in the conduction band and in the d-shell of a magnetic ion depend significantly on the spatial position of this ion. This situation allows magnetic polarons with zero magnetic moment to appear, for which the localized-electron-induced spatial distribution of polarization of the surrounding magnetic ions exhibits an antiferromagnetic character. The possibility of experimental detection of these “nonmagnetic” magnetic polarons is considered.     

Fabrication and magnetic properties of 4SC(NH_2)_2–Ni_(0.97)Cu_(0.03)Cl_2 single crystals

Single crystals of 4SC(NH2)2–Ni1-xCux Cl2(x = 0.03)(Cu-DTN) containing spin S = 1/2 Cu2+and S = 1 Ni2+cations are synthesized by slow evaporation methods. Structural characterization demonstrates that the Cu-DTN is of a tetrahedral structure with lattice parameter c being 9.0995 ?A, which is 1.32% expansion compared with that of parent material DTN due to the larger radius of the Cu ion. Direct current(DC) susceptibility measurements show that both the antiferromagnetic exchange interaction at low temperature and the large anisotropy of susceptibilities are suppressed after doping the Cu ion, which could be related to the structural distortion and the increase of the super-exchange paths in Cu-DTN.     

Mössbauer study and magnetic properties of bis (ethanol) tetraphenylporphinatoiron (III) tetrafluoroborate [Fe(EtOH)2 (tpp)]+BF 4 −

Mössbauer experiments and magnetic measurements have been performed at various temperatures between 1.8 and 300 K on a six-coordinated iron porphyrin [Fe(EtOH)₂ (tpp)]⁺BF ₄ ^? . All the results are consistent with the presence of high-spin iron (III) with an unambigous S=5/2 ground state. A marked reversal of the asymmetric broadening of the quadrupole doublet lines has been observed between 1.8 and 300 K. This asymmetric broadening of the lines arising from relaxation effects depends on the directions along which the hyperfine magnetic field fluctuates relative to the principal axes of the e.f.g. tensor.     

Crystallography,magnetic properties and magnetocaloric effect in Gd4(BixSb1−x)3 alloys

A study of magnetic and thermal properties has been carried out on the alloys from the Gd₄(Bi_xSb_1−x)₃ series with x=0, 0.25, 0.5, 0.75, and 1. All of the alloys are ferromagnetic below their respective Curie temperatures which vary from 266 K for x=0 to 332 K for x=1.0. The magnetocaloric effect calculated from the temperature and magnetic field dependencies of the magnetization and heat capacity is moderate when compared to that of other materials, which order in the same temperature range. Both the magnetic ordering and the magnetocaloric effect peak temperatures increase nearly linearly with the increasing Bi content. Experimental magnetocaloric effect data obtained from two different measurement techniques are in excellent agreement.     

Structure,stability and magnetic properties of (NiAl)n(n≤6) clusters

In this paper, density functional theory with generalized gradient approximation (GGA) for the exchange-correlation potential has been used to calculate the energetically global-minimum geometries and electronic states of (NiAl)_n(n≤6) clusters. Full structural optimizations, analysis of energy and frequency calculation are performed. The most stable structures of (NiAl)_n clusters are all three-dimensional structures except NiAl. The average bond lengths of (NiAl)_n clusters are larger than that of Ni_2n, and are smaller than that of Al_2n. The binding energy per atom of Ni_2n and (NiAl)_n has the same change trend, and that are larger than that of Al_2n. Stability analysis shows that Ni₈, (NiAl)₂ and Al₁₀ clusters have higher relative stability than other clusters. Mulliken analysis indicates that charges always transfer from Al atoms to Ni atoms, and the average charges of transfer from Al atoms to Ni atoms have a maximum at (NiAl)₆, implying the strong interaction between Al and Ni atoms in (NiAl)₆. The average atomic magnetic moments of (NiAl)_n are smaller than that of true Ni_2n. The analysis of the static polarizability shows that the electronic structures of (NiAl)_n clusters tend to be compact with the increase of atoms.     

The structural,electronic and magnetic properties of Ag4M and Ag4MCO (M = Sc–Zn) clusters

The structures, spectra and electronic and magnetic properties of Ag₄M and Ag₄MCO (M?=?Sc–Zn) clusters have been studied using density functional theory and CALYPSO structure searching method. Structural searches show that M atoms except Zn tend to occupy the highest coordination position in the ground state Ag₄M and Ag₄MCO clusters. Carbon monoxide is most easily adsorbed on Ag atom of Ag₄Zn and M atom of other Ag₄M. Infrared and Raman spectra, photoabsorption spectra and photoelectron spectra of Ag₄M and Ag₄MCO clusters are forecasted and can be used to identify these clusters from experiment. Analysis of electronic properties indicates that the adsorption of CO on Ag₄M clusters changes the zero vibrational energy (ZPVE) and increases stability of the host clusters. Dopant atoms except for Zn improve the stability of silver cluster. The Ag₄Ni cluster shows high chemical activity and maximum adsorption energy for carbon monoxide. Magnetism calculations reveal that the magnetic moment of Ag₄M (M?=?Mn–Ni) cluster adsorbed by carbon monoxide is decreased by 2 μ_B. The change of magnetic moment makes it possible to be used as a nanomaterial for carbon monoxide detection. Simultaneously, it is found that the adsorption of CO on Ag₄Cu cluster is a physical adsorption.     

Structural and magnetic properties of La_(0.7)Sr_(0.1)Ag_xMnO_(3-δ) perovskite manganites

Ag-doped manganite powder samples, La0.7Sr0.1AgxMnO3-δ(x = 0.00, 0.025, 0.05, 0.075, and 0.10) were synthesized using the sol–gel method. X-ray diffraction patterns indicated that the samples had two phases with the R3c perovskite being the dominant phase and Mn3O4 being the second phase. X-ray energy dispersive spectra indicated that the ratio of Ag to La was very close to that of the nominal composition in the samples. The specific saturation magnetizations at 300 K increased from 32.0 A·m2/kg when x = 0.00 to 46.8 A·m2/kg when x = 0.10. The Curie temperature, T C, of the samples increased from 310 K when x = 0.00 to 328 K when x = 0.10. Because the atomic concentration ratios of La, Sr, and Mn in the five samples were all the same and only the Ag concentration changed, the variations of the specific saturation magnetizations at 300 K and the Curie temperatures suggested that the Ag cations have been doped into the A sites of the perovskite phase in the samples.     

SU(4)×SU(4)禁闭弱作用复合模型

本文对超色群为半单群的亚夸克模型结构作了讨论, 具体构造了一个SU(4)×SU(4)禁闭弱作用复合模型, 模型中给出了三代轻质量的复合粒子.     

A nuclear magnetic resonance investigation of γ-aminobutyric acid (GABA)

The temperature dependence of the ¹⁴N nuclear quadrupole resonance frequency in hexamethylphosphorus traimide, P[N(CH₃)₂]₃, and hexamethylphosphoric triamide, O=P[N(CH₃)₂]₃, has been studied between 77 K and the melting points. Values for the torsional oscillation frequencies v _t and the empirical parameter b, a function of v _t and the associated moment of inertia I, and of the volume-dependence parameter α, are reported. The values are consistent with previously reported values for thiourea, S=C(NH₂)₂.     

The magnetic dipole transitions in the (c) binding system

The magnetic dipole transitions between the vector mesons B-c and their relevant pseudoscalar mesons B c (B c ,B-c ,B c (2S ),B-c (2S ),B c (3S ),B-c (3S ) etc.,the binding states of (c) system) of the B c family are interesting.The ‘hyperfine’ splitting due to spin-spin interaction is an important topic for understanding the spin-spin interaction and the spectrum of the the (c) binding system.The knowledge about the magnetic dipole transitions is also very useful for identifying the vector boson B-c mesons experimentally,whose masses are just slightly above the masses of their relevant pseudoscalar mesons B c .Considering the possibility to observe the vector mesons via the transitions at Z 0 factory and the potential use of the theoretical estimate on the transitions,we fucus our efforts on calculating the magnetic dipole transitions,i.e.a precise calculation of the rates for the transitions such as decays B-c → B c γ and B-c → B c e + e-,and particularly work in the Bethe-Salpeter framework.As a typical example,we carefully investigate the dependence of the rate Γ(B-c → B c γ) on the mass difference ΔM = M B-c-M B c .     

Probing the structural,electronic and magnetic properties of small Au4M (M = Sc–Zn) clusters

Density-functional method PW91 has been selected to investigate the structural, electronic and magnetic properties of Au₄M (M =Sc–Zn) clusters. Geometry optimisations show that the M atoms in the ground-state Au₄M clusters favour the most highly coordinated position. The ground-state Au₄M clusters possess a solid structure for M = Sc and Ti and a planar structure for M = V–Zn. The characteristic frequency of the doped clusters is much greater than that of pure gold cluster. The relative stability and chemical activity are analysed by means of the averaged binding energy and highest occupied molecular orbital and lowest unoccupied molecular orbital energy gap for the lowest energy Au₄M clusters. It is found that the dopant atoms can enhance the thermal stability of the host cluster except for Zn atom. The Au₄Ti, Au₄Mn and Au₄Zn clusters have relatively higher chemical stability. The vertical detachment energy, electron affinity and photoelectron spectrum are calculated and simulated theoretically for all the ground-state structures. The magnetism calculations reveal that the total magnetic moment of Au₄M cluster is mainly localised on the M atom and vary from 0 to 5 μ_B by substituting an Au atom in Au₅ cluster with different transition-metal atoms.     

Kondo behaviour in magnetic (Ce−La)Pd2Si2

Susceptibility, specific heat and resistivity studies on CePd₂Si₂ and its pseudoternary system Ce_xLa_1–xPd₂Si₂ are reported. Replacement of Ce by La leads to a near dilution like decrease of the Néel temperaturesT _N (x): long range magnetic order in the ground state doublet exists in the wholex range explored (0.2x1). The present data indicate a concomitant Kondo effect, with Kondo temperaturesT _K decreasing linearly from 9 to 3 K, competing with the magnetic interaction. A close relationship between the value of the specific heat jump atT _N and the ratio between the two characteristic temperaturesT _N andT _K is demonstrated.     

有机材料(EDT-DSDTFVO)FeCl_4和(EDT-DSDTFVO)GaCl_4的输送现象

通过对有机材料(EDT-DSDTFVO)2FeCl4和(EDT-DSDTFVO)2GaCl4的输送测定,对其电阻率的温度依赖性以及压力效果进行了系统的比较,虽然两类盐的电阻率随着温度的变化行为十分相似,但是其压力效果尤其在高压时表现出明显的差异性。认为这种差异性和π-d相互作用密切相关。在这里,用EDT-DSDTFVO表示ethylenedithiodiselenadithiafulvalenothioquinone-1,3-dithiole methide。     

Geometric magnetic frustration in Ba(2)Sn(2)Ga(3)ZnCr(7)O(22): a two-dimensional spinel based Kagomé lattice

The properties of a two-dimensional geometrically frustrated magnetic material based on the Kagomé net, Ba(2)Sn(2)ZnGa(3)Cr(7)O(22), are reported. The Kagomé net is fully filled with magnetic ions. A Curie-Weiss theta theta(W) = -312 K is found with a spin glass transition at approximately 1.5 K, indicating strong geometrical magnetic frustration. This compound is the most two dimensional of a structural series with the geometrically frustrated materials ZnCr(2)O(4) and SrCr(8)Ga(4)O(19). The comparison of their properties tests the influence of different degrees of coupling between Kagomé layers on magnetic frustration within a single chemical and structural family.     

Structural,electronic and magnetic properties of the Mn-Ni(110) c(2×2) surface alloy

<正>Using first-principles total energy method,we study the structural,the electronic and the magnetic properties of the MnNi(110) c(2×2) surface alloy.Paramagnetic,ferromagnetic,and antiferromagnetic surfaces in the top layer and the second layer are considered.It turns out that the substitutional alloy in the outermost layer with ferromagnetic surface is the most stable in all cases.The buckling of the Mn-Ni(110) c(2×2) surface alloy in the top layer is as large as 0.26 A(1 A=0.1 nm) and the weak rippling is 0.038 A in the third layer,in excellent agreement with experimental results.It is proved that the magnetism of Mn can stabilize this surface alloy.Electronic structures show a large magnetic splitting for the Mn atom,which is slightly higher than that of Mn-Ni(100) c(2×2) surface alloy(3.41 eV) due to the higher magnetic moment.A large magnetic moment for the Mn atom is predicted to be 3.81μB.We suggest the ferromagnetic order of the Mn moments and the ferromagnetic coupling to the Ni substrate,which confirms the experimental results.The magnetism of Mn is identified as the driving force of the large buckling and the work-function change.The comparison with the other magnetic surface alloys is also presented and some trends are predicted.     

N(~4S_u) CH(a~4∑~-)体系的分子反应动力学研究

用轨线法对Ｎ（４Ｓｕ）＋ＣＨ（０，０）→ＣＮ（ｖ′，Ｊ′）＋Ｈ（２Ｓｇ）和Ｎ（４Ｓｕ）＋ＣＨ（０，０）→ＮＨ（ｖ′，Ｊ′）＋Ｃ（３Ｐｇ）反应进行计算，研究了两个反应的阈能、反应截面、产物散射分析和微观反应机理     

有机材料(EDT-DSDTFVO)FeCl4和(EDT-DSDTFVO)GaCl4的磁电阻分析

有机材料(EDT-DSDTFVO)2FeCl4和(EDT-DSDTFVO)2GaCl4的输送实验结果,显示出这两类盐的电阻率对温度的依赖性以及压力效果十分相似,但是两种盐的磁电阻率却表现出很大的不同,FeCl4盐为负磁电阻,而GaCl4盐为正磁电阻.我们认为这种输送现象的差异性起源于π-d相互作用.我们用EDT-DSDTFVO表示ethylenedithiodiselenadithiafulvalenothioquinone-1,3-dithiole methide.     

Spectroscopic and magnetic characterization of the β AgCuPO4 phase

The β phase of AgCuPO₄, a highly condensed system, has been analyzed by infrared, Raman, spin paramagnetic resonance and diffuse reflectance spectroscopies. In order to clarify the infrared assignment, a comparison of the spectrum with those of other related compounds, has been also made. Magnetic measurements at different temperatures have been carried out. All the results are briefly discussed.