Magnetic phase diagram of MnBr24H2O

The magnetic phase diagram of the monoclinic antiferromagnet MnBr₂4H₂O (obtained from differential magnetization measurements) is presented for temperatures down to T = 0.3 K, and for applied magnetic fields parallel to the crystallographic axes a', b and c. For H∥c an unusual behaviour is observed below T ≈ 0.55 K where the antiferro-paramagnetic boundary apparently splits into three others. It is shown that our critical fields extrapolated to T = 0 are consistent with a recent theory proposed by Becerra and Ferreira.     

Increase of the paramagnetic-to-antiferromagnetic transition temperature of Cr2O3 by a magnetic field

The ordering temperature of antiferromagnetic Cr₂O₃ increases with magnetic field H, for H perpendicular to the easy axus c. This result disagree with mean-field theory, but is consistent with recent predictions. Results for H∥c (including the region near the bicritical point) are also presented.     

Ultrasonic attenuation determination of Hc1 and Hc2 for ErRh4B4 at 1.5 K

The attenuation coefficient of longitudinal sound waves propagating in ErRh₄B₄ has been measured as a function of applied magnetic field where the propagation direction (q) of the sound waves was oriented either parallel or perpendicular to H_applied. For both orientations there is evidence of a type II-1 superconducting transition at H_c1 for T ≈ 1.5 K. In addition, when q ⊥ H an increase in attenuation is evident at H_c2, which does not appear when q 6 H, consistent with theories developed by Tachiki et al. utilizing supercurrent screening of the internal magnetic fields.     

Infrared lattice vibration spectra of tetragonal ZnP2

Infrared reflectivity spectra of tetragonal ZnP₂ are measured in the frequency range from 40 to 600 cm^-1 for both polarization directions E ⊥ c and E 6 c. The parameters of 9 E modes and 4 A₂ modes are determined by a dispersion analysis of the spectra. Three additional A₂ modes are detected by infrared transmission measurements. The results obtained are compared with previous Raman scattering and two-phonon combination mode spectra.     

Quantitative 2D exchange spectroscopy using time-proportional phase incrementation

We have used a version of 2D exchange spectroscopy which employs amplitude modulation during evolution to obtain pure absorption-mode exchange maps of several multisite systems. Quadrature detection in ω₁ is provided by 90° phase incrementation of the excitation pulse in concert with incrementation of t_i. The matrix A of normalized peak amplitudes is determined by the dynamic processes which occur during the mixing interval τ_m according to the rate matrix R, which contains chemical exchange and longitudinal relaxation terms. The R matrix may be directly calculated from A using an eigenvalue-eigenvector method. In principle all of the dynamic parameters of a spin system of any size may be calculated from a pair of phase-sensitive exchange spectra acquired with and without mixing. This approach distinguishes between direct and indirect (relay) couplings irrespective of mixing time. The principles and practical aspects of exchange spectroscopy with time-proportional phase incrementation are briefly discussed and the method is illustrated with the measurement of chemical exchange rates in three-site and five-site spin systems.     

Magnetic and electronic properties of Cr- and Mn-doped SnO2: ab initio calculations

The ab initio calculations, based on the Korringa–Kohn–Rostoker (KKR) approximation method combined with the coherent potential approximation (CPA), indicated as KKR–CPA, have been used to study the stability of ferromagnetic and ferrimagnetic states, for systems that are SnO₂ doped and co-doped with two transition metals, that is, chromium and manganese. Our results indicate that the ferromagnetic state is more stable than the spin-glass state for the (Sn_1−xCr_xO₂; x = 0.07, 0.09, 0.12 and 0.15)-doped system, while the spin-glass state is more stable than the ferromagnetic state for the (Sn_1−xMn_xO₂; x = 0.02 and 0.05)-doped system. However, the ferromagnetic and/or the ferrimagnetic states are stable for the (Sn_0.98−xMn_0.02Cr_xO₂; x = 0.05, 0.09 and 0.13)-doped system depending on the Cr concentration. Moreover, we estimated the Curie temperature (T_c) for the Cr-doped tin dioxide (SnO₂), and we explained the origin of magnetic behaviour through the total density of states for different doped and co-doped SnO₂ systems.     

Jahn-Teller effect for the 3A2-term

The first detection of the zero-phonon line (ZPL) structure in the absorption spectrum for an optical transition between the ³T₁ and ³A₂-terms (λ = 1.3–1.5 μm) is reported for CdS:Ni crystals. An analysis of the structure shows that its occurrence is due to the weak vibronic coupling of the ³A₂-state with trigonal pseudolocal vibrations of energy hω = 22 cm⁻¹, i.e. the dynamic Jahn-Teller (JT) effect is observed. The energy of the JT coupling is E_JT = 13 cm⁻¹. With E_JT < hω, a weak JT coupling takes place. Besides the ZPL, the absorption spectrum also involves other lines of vibronic nature which can be treated as dielectric local vibration modes. An axial pressure (P) is shown to lead to a change in the magnitude of E_JT: for P ∥ C(C being the optical axis of the crystal), E_JT increases, and for P ⊥ C, it decreases.     

High pressure tuning of optical transitions in Mg[Pt(CN)4]·7H2O

Mg[Pt(CN)₄]·7H₂O belongs to the class of tetracyanoplatinates(II) which crystallize in columnar structures. In different M_x[Pt(CN)₄]·yH₂O (MCP) single crystals the in-chain Pt-Pt-distance R varies between 3.67 Å (NaCP) and 3.15 Å (MgCP). Two optical transitions can be observed in polarized emission with the electric field vector E either parallel or perpendicular to the columnar (c)-axis. Polarized emission spectra of MgCP are recorded under hydrostatic pressure up to p ≈ 18 kbar (at 295 K). The transition energy v?₆ can be tuned from 17,600 cm^-1 to about 12,000 cm^-1 (2.18-1.48 eV). The pressure induced red shift for the two transitions is: E 6 c: dv?₆/dp = -320±20 cm^-1/kbar, E ⊥ c: dv?_⊥/dp = -270±20 cm^-1/kbar. These values are discussed in the context of the known functional relationship (for ambient conditions) between v? and R.     

Surface polaritons on semi-infinite anisotropic media

We have investigated the nature of polaritons which propagate on the surface of semi-infinite anisotropic dielectric and magnetic media and find that the surface polaritons are regular surface waves [i.e., the penetration constant α (ω) is real] only for special orientations of the wave vector k and of the normal to the surface n relative to the principal axes. In the case of biaxial crystals, regular surface polaritons occur when k and/or n is along a principal axis of the dielectric tensor ε(ω) for dielectric media [or the magnetic permeability tensor μ(ω) for magnetic media]. When k and n are both directed along principal axes, the surface polaritons are TM with E in the saggital plane for dielectric media. One finds that surface polaritons which are coupled photon-virtual surface dipole excitation modes can exist on “surface active” anisotropic media in addition to the familiar coupled photon-real surface dipole excitation modes. When neither k nor n are along principal axes, the surface polaritons that occur are, with the exception of special orientations, “generalized” surface waves [i.e., α(ω) is complex]. The Poynting vectors of the propagating surface polaritons are always in the plane of the surface but not, in general, along k. These results, which hold for uniaxial crystals, are also applicable to gyromagnetic media and to gyrodielectric media. This theory is also applicable to surface polaritons which propagate along the interface between two media, one or both of which is anisotropic, and with one or the other serving as the “surface active” medium.     

Nuclear magnetic resonance in noncollinear antiferromagnet Mn3Al2Ge3O12

The ⁵⁵Mn nuclear magnetic resonance spectrum of noncollinear 12-sublattice antiferromagnet Mn₃Al₂Ge₃O₁₂ has been studied in the frequency range of 200–640 MHz in the external magnetic field H ‖ [001] at T = 1.2 K. Three absorption lines have been observed in fields less than the field of the reorientation transition H _c at the polarization h ‖ H of the rf field. Two lines have been observed at H > H _c and h ⊥ H. The spectral parameters indicate that the magnetic structure of manganese garnet differs slightly from the exchange triangular 120-degree structure. The anisotropy of the spin reduction and (or) weak antiferromagnetism that are allowed by the crystal symmetry lead to the difference of ≈3% in the magnetization of sublattices in the field H < H _c. When the spin plane rotates from the orientation perpendicular to the C ₃ axis to the orientation perpendicular to the C ₄ axis, all magnetic moments of the electronic subsystem decrease by ≈2% from the average value in the zero field.     

Magnetic field investigation of the acoustic impedance resonance near 2Δ(T) in 3He-A

The acoustic impedance resonance near 2Δ(T) in ³He-A has been studied in magnetic fields up to H = 0.72 T with H?q?. It now appears that the resonance reported by Meisel et al. is independent of ?, q? orientation and satisfies ω(T) = a_ξΔ(T), where Δ(T) is the maximum in the weak coupling axial state gap and a_ξ = 1.8.     

Electronic transition dipole moment functions for transitions among the twenty-six lowest-lying states of Li2

Ab initio electronic transition dipole moment functions are calculated for all dipole-allowed transitions among the 26 states of Li₂ treated by D. D. Konowalow and J. L. Fish (Chem. Phys. 77, 435–448 (1983); Chem. Phys. 84, 463–475 (1984)). Many of the moments exhibit interesting behavior due to charge transfer or ion pair character. Comparisons are made with existing empirical and theoretical determinations of the 1¹Σ_u⁺-1¹Σ_g⁺ and 1¹Π_u-1¹Σ_g⁺ transition moments. The positions of a number of satellite bands are predicted from the potential energy difference curves.     

Sonochemical effect on two new Ruthenium(II) complexes with ligand (E)-N-((6-bromopyridin-2-yl)methylene)-4-(methylthio)aniline precursors for synthesis of RuO2 nanoparticles

Two novel Ru(II) complexes [(η⁶-p-cymene)RuCl(L2)]PF₆ (R2) and [(η⁶-C₆H₆)RuCl(L2)]PF₆ (R4), with ligand (E)-N-((6-bromopyridin-2-yl)methylene)-4-(methylthio)aniline (L2), were synthesized and characterized by elemental analysis, ¹H NMR, ¹³C NMR and IR spectroscopy. Based on X-ray crystallography studies, complexes R2 and R4 have coordination environments with formulated (η⁶-p-cymene)Ru(N₂Cl) and (η⁶-C₆H₆)Ru(N₂Cl), respectively. The thermal stabilities of compounds R2 and R4 were studied by thermal gravimetric (TG) and differential scanning calorimetry (DSC). Thermal decomposition of these complexes was at 280 °C and 260 °C under air atmosphere respectively. The interaction of these complexes with calf thymus DNA (CT-DNA) was explored through electronic absorption spectra, fluorescence and redox behavior studies. The results showed that the complexes bind to CT-DNA with electrostatic interactions. Nanoparticles of RuO₂ were prepared by calcination of R2 and R4. Also the role of the ultrasound waves on the characteristics of the RuO₂ nanoparticles was studied. The nanoparticles were characterized by IR spectroscopy and X-ray diffraction (XRD). Also size and morphology of nanoparticles were studied by scanning electron microscopy (SEM).     

Spatial dispersion in polariton spectra of CuGaS2 crystals

The unmodulated and wavelength-modulated reflectivity spectra of CuGaS₂ crystals for the polarization E ‖ c, k ⊥ c at 77 and 8 K have been studied. The states n=1, 2, and 3 of A excitons and n=1 and 2 of B and C excitons are established. The luminescence spectra from the surface at k ‖ c and k ⊥ c are obtained. The fine structure of the reflectivity spectra of excitons are analyzed with due regard for the normal and oblique incidence of light onto the crystal surface. The main parameters of the A, B, and C excitonic series are determined such as the energies of the longitudinal and transverse excitons Γ₄ (E ‖ c) for states n=1 and 2, the longitudinal and the transverse mass of excitons in CuGaS 2, and the effective masses of electrons (m _c1*) and holes (m _v1*, m _v2*, m _v3*). It is shown that the mass m _v1* in the upper valence band at k ‖ c equals (0.7–0.8)m ₀ and at k ⊥ c, 1.87m ₀.     

Anisotropy in the magnetic susceptibility of 2H-TaSe2

The magnetic susceptibility of 2H-TaSe₂ is temperature dependent and anisotropic. The susceptibility with H parallel to the c axis is approximately 2.5 times that perpendicular. The decrease in susceptibility below the charge density wave transition at 122 K is also anisotropic with [χ₆(122 K) ? χ₆(4.2 K]?[χ_⊥(122 K) ? χ_⊥(4.2 K)] ≈ 4. Consequently, this change cannot be simply interpreted as a change in the density of states at the Fermi level, unless very anisotropic electron g values are assumed.     

On the bifurcations occuring in the parameter space of the sixteen vertex model: I. Discrete bifurcations

The 16-dimensional parameter space of homogeneous sixteen vertex models is scanned for bifurcation points, i.e. points corresponding to models which possess extra symmetries not existing in nearby points. Equivalence classes of models having the same partition function are identified by means of a characteristic “normal” model, represented by a (4 x 4)-diagonal matrix N, and a pair of (2 x 2)-matrices A and B. In this paper the matrix N is assumed to be non-degenerate and the only bifurcations found are those associated with special types of matrices A and B, i.e. matrices whose decomposition in terms of Pauli-matrices corresponds to a vector a ≡ (a₁, a₂, a₃) or b ≡ (b₁, b₂, b₃) that is invariant with respect to one or more elements of the cubic symmetry group.The various bifurcation classes of models found include: a) the families of general- and “complementary” eight vertex models, b) discrete sets of doubly- and one-sided cyclic models and c) a number of secondary bifurcation classes within the eight-vertex families, among which is Baxters symmetric eight-vertex model.     

Biquadratic exchange interaction between Ru5+ ions in (Ru2O9) clusters

The energy levels of a Ru₂O₉ cluster have been calculated, including a higher order spin interaction. The Ru⁵⁺-Ru⁵⁺ coupling is described by the Hamiltonian ?= -2JS₁· S₂ ?j(S₁·S₂)². The temperature dependence of the magnetic susceptibility is used to determine the values of the bilinear J and biquadratic j exchange integrals: J/k = -161K and j/k = 6.6K. The second term in the Hamiltonian corresponds to a fourth order perturbation involving low spin states.     

Pyroelectric properties of a ferroelectric single crystal [NH2(CH3)2]3Sb2Cl9 (DMACA)

The pyroelectric properties of DMACA single crystals have been measured in the range 135–293 K, revealing the existence of ferroelectric second order phase transition at T_c = 243 K. The saturation value of spontaneous polarization P_s along a-axis amounts to 6.8 × 10⁻³ Cm⁻² at about 203 K. Critical exponent β = 0.5 has been found in the region 0.5–10 K away from T_c.     

The discovery of 3-(1-aminoethylidene)quinoline-2, 4(1H,3H)-dione derivatives as novel PSII electron transport inhibitors

Based on the structures of the 4-hydroxyphenylpyruvate dioxygenase inhibitor mesotrione and natural product fischerellin A, a series of imine derivatives of ( $E$ )-3-acyl-quinoline-2,4(1H,3H)-dione (6, 12 and 16) were designed, synthesized and systematically evaluated for their herbicidal activity. The bioassay results indicated that most of the synthesized compounds displayed good to excellent herbicidal activity, of which 6e, 6g, 6h, 6q and 6t exhibited more than 50 % inhibition against Brassica napus L., Amaranthus retroflexu or Digitaria adscendens at a dosage of $94\,\hbox {g}\,\hbox {ha}^{-1}$ or lower. The symptom of injured leaves in vivo, the high Hill reaction inhibitory activity of 6h in vitro ( $\hbox {IC}_{50}\,0.1\, \upmu \hbox {g}\,\hbox {mL}^{-1})$ and the computer-based binding model of compound 6h with D1 protein in photosystem II (PSII) reaction centre suggest this novel structure to likely be a new type of PSII electron transport inhibitor. Thus, we have found a novel type of diketone enamine structure targeted at the PSII reaction centre.     

Triboelectric charging of insulators – Mass transfer versus electrons/ions

In a recent publication on the mechanisms of triboelectric charging of insulators we interpreted our experimental results in terms of electron and ion transfer. We now report that these results can equally well be interpreted by the mass transfer mechanism. A process is proposed to distinguish between these. This would provide information relating to the idea that classification of triboelectric mechanisms of insulators may result from considering the amount of applied forces and frictional energy involved in the process, thus distinguishing between the mechanisms of non-frictional contact and pressing or rubbing contacts.