LnPO4: RE3+ (La = La, Gd; RE = Eu, Tb) nanocrystals: solvo-thermal synthesis, microstructure and photoluminescence

Through altering the solvents, we have obtained the Eu³⁺/Tb³⁺ ions-doped LnPO₄ (Ln = La, Gd) phosphors with different particle sizes, microstructures and morphologies via a facile solvo-thermal technology. X-ray powder diffraction (XRD), transmission electron microscope (TEM), and scanning electron microscope (SEM) have shown that the products using different solvents have various structures and morphologies. With the increase of DMA/water volume ratio, the microstructure has changed from hexagonal phase to monoclinic one, and the morphology from nanorod to nanoparticle, revealing the decreased oriented growth. The presence of DMA is an important factor in guiding the anisotropic growth of hexagonal lanthanide phosphates. Besides, N-methyl-2-pyrrolidone has been used as solvent to induce the Eu³⁺/Tb³⁺ ions-doped LnPO₄ (Ln = La, Gd) phosphors with different morphologies and structures. Finally, the photoluminescence behaviors of these nanocrystals have been investigated, which are dependent on their microstructures and morphologies.     

Half-metallic behavior of Co2YZ (Y = V,Cr; Z = Al,Ga) under pressure: a DFT study

The structural, electronic and magnetic properties of Co-based Heusler compounds Co₂YZ (Y = V, Cr; Z = Al, Ga) under pressure are studied using first principles density functional theory. The calculations are performed within generalized gradient approximation. The total magnetic moment decreases slightly on compression. Under application of external pressure, the valence band and conduction band are shifted downward which leads to the modification of electronic structure. There exists an indirect band gap along Г–X for all the alloys studied. Co₂CrAl shows half-metallic nature up to 85 GPa. After this pressure transition from true half-metallic behavior to nearly half-metallic behavior is observed and at 90 GPa it shows metallic behavior. Co₂CrGa shows nearly half-metallic behavior at ambient pressure, but true half-metallic behavior is observed as pressure is increased to 100 GPa. For Co₂VGa, true half-metallic to nearly half-metallic transition is observed at 40 GPa and around 100 GPa, Co₂VGa shows metallic behavior. For Co₂VAl, true half-metallic behavior is not observed at ambient as well as higher pressures. The half metal-to-metal transition in Co₂VAl and Co₂CrAl is accompanied by quenching of magnetic moment.     

One-pot synthesis of oleic acid-capped cadmium chalcogenides (CdE: E = Se,Te) nano-crystals

Surface-capped CdSe and CdTe nano-crystals (NCs) have been synthesized using cadmium acetate, oleic acid and respective tri-octylphosphine chalcogenide (TOPE; E = Se/Te) in diphenyl ether (DPE). Well-dispersed CdSe particles showed two absorption bands at the region of 431–34 and 458–60 nm in optical absorption study. A band-edge emission resulted at 515 nm with an excitation energy of 400 nm, in its photoluminescence (PL) spectrum. Similarly, UV–visible absorption study of CdTe revealed an absorption band at <700 nm. The broadened X-ray diffraction (XRD) pattern showed that at higher reaction temperature cubic CdSe but hexagonal CdTe can be obtained with crystallite size of <10 nm. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that agglomerated particles are of spherical nature. The inter-planar spacing in CdTe was measured to be 0.406 nm, a characteristic of (100) lattice plane in hexagonal CdTe. X-ray photoelectron spectroscopy (XPS) showed that CdSe NCs have better air stability stable than CdTe. Presence of organic moiety around the semiconductor particles was confirmed by infra-red (IR) spectroscopy.     

Pressure-Tuning Raman Spectra of the Arene Chromium(0) Chalcocarbonyl Complexes, (η6-C6H5CO2CH3)Cr(CO)2(CX) (X = O,S)

The pressure-tuning Raman spectra of the two methylbenzoate complexes, (η⁶-C₆H₅CO₂CH₃)Cr(CO)₂(CX) (X = O, S), have been examined up to ～35 kbar. Structural changes occurred for both complexes in the 10–15 kbar pressure range, most probably as the result of second-order phase transitions. From the observed pressure dependences, replacement of a CO group in the piano-stool (η⁶-C₆H₅CO₂CH₃)Cr(CO)₃ molecule by a CS group has a marked influence on the Cr-arene ring vibrational modes, and the arene ring clearly plays a role in determining the nature of the Cr-CO and Cr-CS bonding interactions.     

Temperature dependent exchange bias effect in polycrystalline BiFeO3/FM (FM = NiFe, Co) bilayers

Extensive studies on the temperature (T) dependent exchange bias effect were carried out in polycrystalline BiFeO₃(BFO)/NiFe and BFO/Co bilayers. In contrast to single-crystalline BFO/ferromagnet (FM) bilayers, sharp increase of the exchange bias field (H _E ) below 50 K were clearly observed in both of these two bilayers. However, when T is higher than 50 K, H _E increases with T and decreases further when T is larger than 230 K (for BFO/NiFe) or 200 K (for BFO/Co), which is similar to those reported in single-crystalline BFO/FM bilayers. After the exploration of magnetic field cooling, the temperature dependent exchange bias can be explained considering two contributions from both the interfacial spin-glass-like frustrated spins and the polycrystalline grains in the BFO layer. Moreover, obvious exchange bias training effect can be observed at both 5 K and room temperature and the corresponding results can be well fitted based on a recently proposed theoretical model taking into account the energy dissipation of the AFM layer.     

~(59)Co(n,p)~(59)Fe,~(59)Co(n,α)~(56)Mn,~(59)Co(n,2n)~(58)Co反应截面的测量

本实验用活化法测量了中子能量在12.8MeV到17.8MeV的~(59)Co(n,p)~(59)Fe,~(59)Co(n,α)~(56)Mn,~(59)Co(n,2n)~(58)Co三个反应道的反应截面值,实验的测量误差在3.3％—6.9％范围内. 本文还计算了反应截面测量误差的协方差矩阵,并将实验测量值与理论计算值进行了比较.另外,还对上述三个反应道的截面进行编评,给出了推荐的激发曲线.     

~(186)W(d,p)~(187)W,~(186)W(d,2n)~(186)Re,~(nat)Fe(p,x)~(56)Co和~(nat)Ti(a,x)~(51)Cr反应激发函数评价

考虑特征γ射线分支比、衰变常数和标准截面等修正,对带电粒子引起的核反应~(186)W(d,p)~(187)W,~(186)W(d,2n)~(186)Re,~(nat)Fe(p,x)~(56)Co和~(nat)Ti(a,x)~(51)Cr的激发函数进行了研究。全面收集了这些反应激发函数的实验测量数据,对这些实验数据进行了分析处理,应用数学方法对分析处理后的实验数据进行了拟合。经过评价,给出了50 Me V以下~(186)W(d,p)~(187)W,~(186)W(d,2n)~(186)Re,~(nat)Fe(p,x)~(56)Co和~(nat)Ti(a,x)~(51)Cr反应激发函数的推荐值。     

~(55)Mn(α,n)~(58m,g)Co,~(55)Mn(α,2n)~(57)Co和~(55)Mn(α,α′n)~(54)Mn反应的激发函数

用活化法和迭靶技术,在入射α粒子能量从10.4到26.5MeV范围内,测量了~(55)Mn(α,n)~(58m,g)Co、~(55)Mn(α,2n)~(57)Co和~(55)Mn(α,α′n)~(54)Mn反应的截面,并同激子模型理论计算作了比较,结果表明在上述反应中存在平衡前发射反应机制。     

Quantized (1, 0) ⊕ (0, 1) Fields

We find a mapping between antisymmetric tensormatter fields and the Weinberg 2(2j + 1)-componentbispinor fields. Equations which describethe j = 1 antisymmetric tensor field coincide with the Hammer-Tucker equations entirely and withthe Weinberg ones within a subsidiary condition, theKlein-Gordon equation. A new Lagrangian for the Weinbergtheory is proposed which is scalar and Hermitian. It is built on the basis of the concept ofWeinberg doubles. The origin of acontradiction between the classical theory, the Weinbergtheorem B – A = for quantum relativisticfields, and the claimed longitudity of the antisymmetrictensor field [transformed on the (1, 0) (0, 1)Lorentz group representation] after quantization isclarified. Analogs of the j = 1/2 Feynman–Dysonpropagator are presented in the framework of the j = 1 Weinberg theory.It is then shown that under a definite choice of fieldfunctions and initial and boundary conditions themassless j = 1 Weinberg–Tucker–Hammerequations contain all the information that the Maxwell equationsfor the electromagnetic field have. Thus, the formerappear to be of use in describing some physicalprocesses.     

~(100)Mo(n,2n)~(99)Mo,~(96)Mo(n,p)~(96)Nb和~(92)Mo(n,α)~(89m+g)Zr反应截面测量

本文报告了在E_n=13.40—14.79MeV中子能区用活化法以~(27)Al(n,α)~(24)Na截面为中子注量标准测得的~(100)Mo(n,2n)~(99)Mo,~(96)Mo(n,p)~(96)Nb和~(92)Mo(n,α)~(89m+g)Zr的反应截面,中子能量是用铌锆截面比法测定的。文中将实验测量值与理论计算值进行了比较,还对上述三个反应的截面进行了编评,给出了推荐的激发曲线。     

Magnetic properties of hole-doped SCGO, SrCr(8)Ga(4-x)M(x)O(19) (M?=?Zn, Mg, Cu)

We report changes in the magnetic properties of hole-doped SCGO, SrCr8Ga4O19, induced by replacing non-magnetic Ga3+ with both non-magnetic (Mg2+ and Zn2+) and magnetic (Cu2+) cations. The resulting solid solutions, SrCr(8)Ga(4-x)M(x)O(19) (M = Zn, Mg, Cu) have been studied by x-ray diffraction and magnetic susceptibility measurements. For all cases, at least 10% of Ga can be replaced by divalent cations resulting in oxidation of ≥5% of the Cr3+ d3 to Cr4+ (d2). The hole doping results in an increase in ferromagnetic interactions and reduces the magnetic frustration. In the SrCr(8)Ga(4-x)Cu(x)O(19) series an enhancement of the spin-glass-like transition is observed, T(f)～ 6 K, which we ascribe to the magnetic nature of the Cu2+ (d9) dopant.     

Geometries and electronic properties of NbnV(0, ±1) (n = 1−6) clusters studied by density-functional theory

Using density functional theory (DFT) with valence basis set LANL2TZ to study the relative stabilities and electronic properties of the most stable structures of Nb _n V^(0,?±1) (n = 1?6) clusters. The ground state structures of Nb _n V ^(0,?±1) keep the similar geometric structure as the host Nb _n clusters. The doping of vanadium atom enhances the chemical activities of Nb _n clusters. The Nb₃V and Nb₆V are more stable than other clusters. The average binding energy of charged systems (Nb _n V⁺ and Nb _n V^? clusters) are generally larger than neutral Nb _n V clusters natural population analysis shows that there are charge transfers from niobium to vanadium atoms in the small Nb_1?4V, however, for larger clusters (Nb₅V and Nb₆V), the charge transfers are from vanadium to niobium atoms. The vertical and adiabatic ionization potentials (VIP and AIP) are estimated and the vertical one is more close to experimental results.     

Ab initio study of structural,electronic, and elastic properties of M<Subscript>2</Subscript>SbP (M = Ti,Zr, and Hf)

This study predicts the structural behaviour of selected M₂SbP compounds with the same structure as MAX phases. Zero pressure results of the lattice parameters, equilibrium volume, and the internal parameter Z_M are calculated with an error less than 3%. Band structure, total and partial density of states were calculated and show the metallic character of these phases. Moreover we observed strong hybridising states; M d–P p, and M d–Sb p. The pressure dependence of the volume, and the lattice parameters were studied. The stiffness of M–P, and M–Sb bonds was discussed in term of relative length change under hydrostatic pressure. Hf₂SbP present the highest bulk modulus and the unidirectional elastic modulus C₃₃ is slightly greater than C₁₁.     

~(58)Ni(n,p),~(60)Ni(n,p),~(62)Ni(n,α)和~(54)Fe(n,p)反应截面的测量与评价

本实验用活化法测量了中子能量在13.60 MeV—17.77 MeV的~(58)Ni(n,p)~(58m+g)Co,~(60)Ni(n,p)~(60)Co和~(62)Ni(n,α)~(59)Fe三个反应道的反应截面值,并计算了反应截面测量误差的协方差矩阵。实验的测量误差在3％—7％范围内。本文还对上述三个反应截面及~(54)Fe(n,p)~(54)Mn反应截面进行了编译,推荐了从阈能到20MeV能区的激发曲线。     

Structural characterization,magnetic properties and magnetocaloric effects of La0.75Sr0.25Mn1–x Cr x O3 (x = 0.15, 0.20, and 0.25)

The effect of Cr doping on the structural, magnetic and magnetocaloric properties of perovskite manganites La_0.75Sr_0.25Mn_1–x Cr _x O₃ (x = 0.15, 0.20, and 0.25) has been investigated. Crystalline structure and magnetic properties are investigated by using X-ray powder diffraction and magnetization measurements, respectively. All samples show a single phase and are found to crystallize in the distorted rhombohedral system with \( R\overline{3} \,c \) space group. A monotonous change of Curie temperature (T _C), from 314 to 253 K, is observed when content doping increases. Substantial magnetic entropy change reaching 4.20 J/kg K is revealed. Relative cooling power was estimated as well. It was found to reach 289, 323, and 386 J/kg for x = 0.15, 0.20, and 0.25, respectively. Field dependence of the magnetic entropy change showing the power law dependence \( \Delta S_{\rm M} \propto \,\,\left( {\mu_{ 0} \rm H} \right)^{n} \) is also analyzed and discussed.     

Stability and elastic properties of B2 CoX (X = Ti,Zr and Hf) intermetallic compounds as a function of pressure

By means of first-principles calculations within the generalised gradient approximation (GGA), phase stability, elastic properties and electronic structures of B2 CoX (X = Ti, Zr and Hf) compounds as a function of pressure have been investigated. The formation energy indicates that CoTi is the most stable phase in these three B2 phases under different pressures. The elastic properties of B2 Co (X = Ti, Zr and Hf), calculated via the Voigt–Reuss–Hill (VRH) approximation, increase with increasing pressure. The mechanical anisotropies are characterised by the universal anisotropy index (A^U) and the Zener anisotropy index (A^Z). The sound velocities, Debye temperatures and melting temperature under applied pressure are also evaluated. Electronic structure show that the changes in the charge distribution are moderate under applied pressure, resulting in the general characteristics of the bonding between X (X = Ti, Zr and Hf) and Co remain unchanged.     

Mo(d,x)~(95m)Tc,Mo(d,x)~(96g),Tc和Mo(d,x)~(97)Tc反应的激发函数

用活化法和迭靶技术,测量了入射氘核能量从3.2到13.3MeV范围内,Mo(d,x)~(95m)Tc,Mo(d,x)~(96g)Tc和Mo(d,x)~(97m)Tc反应的激发函数,并与复合核统计模型理论计算作了比较。