Structural transformations of K<Subscript>3</Subscript>H(SO<Subscript>4</Subscript>)<Subscript>2</Subscript> crystals with variations in temperature

Single crystals of the K₃H(SO₄)₂ compound are investigated using X-ray diffraction on Xcalibur S and Bruker diffractometers. The structure of the low-temperature monoclinic phase is refined (space group C2/c, z = 4, a = 14.698(1) Å, b = 5.683(1) Å, c = 9.783(1) Å, β = 103.01(1)°, T = 293 K, Bruker diffractometer), the structural phase transition is revealed, and the structure of the high-temperature trigonal phase is determined (space group R \(\bar 3\) m, z = 3, a = 5.73(1) Å,c = 21.51(1) Å,T = 458 K, Xcalibur diffractometer).     

Über Kristallstruktur und elektrische Eigenschaften der Wismutselenide Bi2Se2 und Bi2Se3

The properties of bismuth triselenide (Bi₂Se₃) are already known to a certain extent through the work of several authors, while it was still an open question whether there exists an individual solid phase of BiSe. Further information on this subject could be obtained by the successful growth and investigation of single crystals of both Bi₂Se₃ and Bi₂Se₂. X-ray analysis by means of goniometry, Weißenberg, Laue, and Debye-Scherrer diagrams confirmed the known crystal structure of Bi₂Se₃ (ditrigonal scalenohedral;D _3d ⁵ ?R—m; with the hexagonal axes:a=4·15 Å andc=28·55 Å, and 3 molecules per unit cell). As to Bi₂Se₂ it can be shown that it belongs to the same class but to a different space group (D _3d ¹ ?P— 1m orD _3d ³ ?P—m 1; hexagonal axes:a=4·15 Å,c=22·84 Å, unit cell: 3 molecules, if the formula Bi₂Se₂ is adopted). Common to both is a subcell with the dimensions:a′=a=4·15 Å andc′=5·71 Å. The temperature dependence of electrical conductivity and Hall coefficient was measured on several specimens having different crystal orientations. The most striking difference is the high anisotropy of Bi₂Se₃ (σ _a σ _c =10) as compared with Bi₂Se₂ (σ _a /σ _c <2). All specimens turned out to ben-type. The room temperature carrier concentration observed was:n (Bi₂Se3)=8·10¹⁸ cm^?3 andn (Bi₂Se₂)=4·10²⁰ cm^?3, the carrier mobility:μ(Bi₂Se3)=2·10³ cm²/V·s andμ(Bi₂Se₃)=20 cm²/V·s.     

Das Kernquadrupolmoment des Mn55

With a recording photoelectric Fabry-Perot spectrometer and an atomic-beam light source the hyperfine structure of the Mn I-resonance linesλ=4031 Å,λ=4033 Å,λ=4034 Å (3d ⁵4s ² a ⁶ S _5/2?3d ⁵4s4p z ⁶ P _7/2,5/2,3/2 ⁰)and of the inter-combination linesλ=5395 Å andλ=5433 Å (3d ⁵4s ² a ⁶ S _5/2?3d ⁵4s4p z ⁸ P _7/2,5/2 ⁰) was measured. Furthermore the resonance lines have been measured with a pulsed atomic-beam in absorption. In this case the quotient (I ₀(ν)?I(ν))/I ₀(ν) was recorded, whereI(ν)=I ₀(ν) exp(?α(ν)d) is the observed intensity with absorption andI ₀(ν) the intensity of the light source. From the hyperfine structure splitting the value of the electric quadrupole moment of Mn⁵⁵ was derived to be:Q(Mn⁵⁵)=+(0.35±0.05)·10^?24 cm².     

Structural changes during the unfolding of Bovine serum albumin in the presence of urea: A small-angle neutron scattering study

The native form of serum albumin is the most important soluble protein in the body plasma. In order to investigate the structural changes of Bovine serum albumin (BSA) during its unfolding in the presence of urea, a small-angle neutron scattering (SANS) study was performed. The scattering curves of dilute solutions of BSA with different concentrations of urea in D₂O at pH 7.2 ± 0.2 were measured at room temperature. The scattering profile was fitted to a prolate ellipsoidal shape (a, b, b) of the protein witha = 52.2 Å andb = 24.2 Å. The change in the dimensions of the protein as it unfolds was found to be anisotropic. The radius of gyration of the compact form of the protein in solution decreased as the urea concentration was increased.     

Effect of desiccant on the performance of green organic light-emitting device

A green organic light-emitting diodes (OLED) with a multilayer structure of indium-tin oxide (ITO)/copper-phthalocyanine (CuPc) (200Å)/N,N′-bis(1-naphthyl)-N,N′-diphenyl-1,1′-biphenyl-4,4′-diamine (α-NPD) (600Å)/N′- diphenyl-N,N′-tris(8-hydroxyquinoline) aluminium (Alq₃) (400Å):10-(2-benzothiazolyl)-1,1,7,7-tetramethyl-2,3,6,7- tetrahydro-1H,5H,11H-(l)benzopyropyrano(6,7,8-i, j)quinolizin-11-one (C545T) (2%)/Alq₃ (200Å)/LiF (10Å)/Al (1000Å) was prepared via vacuum thermal evaporation. To reduce the impact of water vapor and oxygen on the device, we encapsulated it with a kind of specific and efficient desiccant, called DESIPASTE, under the protection of high-purity nitrogen. By analyzing a series of optical characteristics of OLEDs, the results showed that this desiccant can improve the brightness about 500 and 250 cd/m² at same driving voltage and current density, respectively. The electroluminescent (EL) spectra were hardly affected except a very weak blue shift of broadband emission peak. It turns out that encapsulation with DESIPASTE is a simple and efficient way to improve the performance of OLED.     

The proximity effect in an Fe-Cr-V-Cr-Fe system

The proximity effect was studied in a thin-film Fe-Cr-V-Cr-Fe layered system. As the chromium layer thickness (d_Cr) increases at a fixed thickness of iron layers (d_Fe), the dependence of the superconducting transition temperature (T_c) on d_Cr exhibits a maximum at d_Cr ? 40 Å followed by a sharp decrease. Investigation of the dependence of T_c on d_Fe at a fixed d_Cr showed that the depth of penetration of the Cooper pairs into a chromium layer does not exceed 40 Å. Analysis of the results obtained suggests that, at d_Cr ? 40 Å, chromium layers exhibit the transition from a nonmagnetic state to an incommensurate spin density wave state.     

Atomic structure of a 1<Emphasis Type="Italic">T</Emphasis>-TiSe<Subscript>2</Subscript> surface layer from photoelectron and Auger electron holography data

A three-dimensional (3D) reconstruction of the atomic structure of the (100) surface of a 1T-TiSe₂ layered dichalcogenide crystal has been performed from X-ray photoelectron and Auger electron diffraction data. The diffraction patterns of the emission of Auger electrons of Se(LMM) selenium and photoelectrons of Ti2p titanium have been considered as holographic diagrams. Being processed with the scattering pattern extraction algorithm using the maximum entropy method (SPEA-MEM), they provide individual 3D images of the nearest environment of selenium and titanium atoms in the TiSe₂ lattice. Using reconstructed 3D images, the positions of 128 atoms in the 2 × 2 × 1.5-nm region of the surface layer of TiSe₂ have been determined. The structure of the surface has a 1T polytype. Interatomic distances in the layer and van der Waals gap are larger than the respective parameters in the bulk of the crystal. It is assumed that titanium layers in two Se-Ti-Se upper surface structural units are displaced along the [001] axis. The structure of the surface layer can be described by a unit cell of the P3 space group with the parameters a = 3.85 Å and c = 14.4 Å.     

Individual-collective crossover driven by particle size in dense assemblies of superparamagnetic nanoparticles

Prussian blue analogues (PBA) ferromagnetic nanoparticles Cs ^I _x Ni ^II [Cr ^III (CN)₆ ] _z ·3(H₂O) embedded in CTA⁺ (cetyltrimethylammonium) matrix have been investigated by magnetometry and magnetic small-angle neutron scattering (SANS). Choosing particle sizes (diameter D = 4.8 and 8.6 nm) well below the single-domain radius and comparable volume fraction of particle, we show that the expected superparamagnetic regime for weakly anisotropic isolated magnetic particles is drastically affected due to the interplay of surface/volume anisotropies and dipolar interactions. For the smallest particles (D = 4.8 nm), magnetocrystalline anisotropy is enhanced by surface spins and drives the system into a regime of ferromagnetically correlated clusters characterized by a temperature-dependent magnetic correlation length L _mag which is experimentally accessible using magnetic SANS. For D = 8.6 nm particles, a superparamagnetic regime is recovered in a wide temperature range. We propose a model of interacting single-domain particles with axial anisotropy that accounts quantitatively for the observed behaviors in both magnetic regimes.     

Zur Isomerie des Tl197

Tl^197m was produced by the (α, 4n) reaction on Au¹⁹⁷ using 49 MeVα particles. The following results were obtained: Half-lifeT _1/2=(0.55±0.02) sec; energy of the isomeric level (607±4) keV, determined directly by summing up the cascade transitions in a well-type scintillator; energy of the isomeric transition (222±2) keV; conversion coefficients of this transitionα _K222=0.41±0.05 andα _tot222=2.1±0.2, indicating anE3 multipolarity; energy of the second transition (385±3)keV; conversion coefficientsα _K385=0.09±0.03 andα _tot385<0.1. This transition was identified asE2 with aM1 admixture of 20 to 30%. Spins and parities are 1/2⁺, 3/2⁺ and 9/2^? for the ground state, the 385 keV state and the 607 keV isomeric state, respectively, in disagreement with the extreme single-particle model. If this model were correct, anotherM1 transition should appear. No furtherM1 transition having an energy greater than theL-shell binding energy of T1 was observed.     

Charge transfer over localized states in a TlS single crystal

It is revealed that TlS single crystals exhibit a variable range hopping conduction along a normal to their natural layers at temperatures T ≤ 230 K in a dc electric field and a nonactivated hopping conduction at low temperatures in strong electric fields. Estimates are made for the density of states near the Fermi level (N _F = 2.8 × 10²⁰ eV^?1 cm^?3 and their energy spread (ΔW = 0.02 eV), the localization radius (a = 33 Å), the average jump distance in the region of activated (R _av(T) = 40 Å) and nonactivated (R _av(F) = 78 Å) hopping conduction, and also the drop in the charge carrier potential energy along the jump distance in an electric field F: eFR = 0.006 and 0.009 eV at F = 7.50 × 10³ and 1.25 × 10⁴ V/cm, respectively.     

EXAFS study of copper complexes with azomethinic ligand environment

A series of copper metallochelates C₂₂H₁₈CuN₄O₂ X (X = Se, S, O) as models of active centers of natural metalloproteins have been synthesized on the basis of new azomethine ligand systems. The structure of the complexes has been studied by extended X-ray absorption fine-structure spectroscopy. It is shown that, in the metallochelates with X = Se or S, one azomethine chalcogen-containing ligand undergoes tridentate interaction with copper ions, while the other ligand is an acetate group. As a result, a complex with the N₂O₂ X environment is formed, where one of the oxygen atoms of the acetate group is at a large distance from the metal ion: R = 2.56–2.68 Å. For the metallochelate with X = O, coordination of the acetate group by a copper ion is found to be absent, and only interaction with azomethine ligands having average Cu-N/O distances R = 1.96–2.04 Å is observed.     

Magnetorefractive effect and giant magnetoresistance in Fe(<Emphasis Type="Italic">t</Emphasis><Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>)/Cr superlattices

The magnetorefractive effect in Fe(t _x , Å)/Cr(10 Å) samples grown by molecular-beam epitaxy with a variable thickness of the iron layer (superlattices, cluster-layered nanostructures) has been studied in the IR region (λ = 2–13 µm) in s and p polarizations of light. The magnetoresistive effect in a dc magnetic field, H ≤ 32 kOe, has been measured on the same samples. The iron layer thickness required for the magnetorefractive response to appear has been found to be t _Fe ≥ 3 Å. The correlation between the magnitude of the magnetorefractive effect in the mid-IR region and magnetoresistance has been discussed.     

Die Kristallographischen Grundparameter Des Normalen Thalliumphosphits Tl2HPO3

Из рентгенограммы Ла уэ пластинчатых моно кристаллов вытекают три возможн ых кристаллографическ их класса тригональн ой системы: 32, Зm, ¯3m. При помощи метод а вращающегося криста лла были определены р азмеры гексагональной элем ентарной ячейкиa=10,55 Å,c=7,50 Å. На основ е этой элементарной я чейки удалось приписать диффракционные инде ксы всем наблюдаемым линиям рентгенограммы поро шкообразного Tl₂HPO₃, полученной по мето ду Дебая-Шеррера, как показано в таблице. Предложенная гексаг ональная ячейка соде ржит 6 молекул. Применение м еньшей ромбоэдричес кой ячейки оказывается н евозможным. Таким обр азом и исключены соответст вующие ромбоэдрические про странственные групп ы из сверху приведенных кристал лографических классов.     

Magnetooptical,optical, and magnetotransport properties of Co/Cu superlattices with ultrathin cobalt layers

We investigated the field dependences of the magnetization and magnetoresistance of superlattices [Co(t _x, Å)/Cu(9.6 Å)]30 prepared by magnetron sputtering, differing in the thickness of cobalt layers (0.3 Å ≤ t _Co ≤ 15 Å). The optical and magnetooptical properties of these objects were studied by ellipsometry in the spectral region of hω= 0.09–6.2 eV and with the help of the transverse Kerr effect (hω= 0.5–6.2 eV). In the curves of an off-diagonal component of the tensor of the optical conductivity of superlattices with t _Co = 3–15 Å, a structure of oscillatory type (“loop”) was detected in the ultraviolet region, resulting from the exchange splitting of the 3d band in the energy spectrum of the face-centered cubic structure of cobalt (fcc Co). Based on magnetic experiments and measurements of the transverse Kerr effect, we found the presence of a superparamagnetic phase in Co/Cu superlattices with a thickness of the cobalt layers of 3 and 2 Å. The transition from superlattices with solid ferromagnetic layers to superparamagnetic cluster-layered nanostructures and further to the structures based on Co and Cu (t _Co = 0.3–1 Å) with a Kondo-like characteristics of the electrical resistivity at low temperatures is analyzed.     

Synthesis,Crystal Structure and Luminescent Properties of Some Zn(II) Schiff Base Complexes: Experimental and Computational Study

A series of Zn(II)-Schiff bases I, II and III complexes were synthesized by reaction of o-phenylenediamine with 3-methylsalicylaldehyde, 4-methylsalicylaldehyde and 5-methylsalicylaldehyde. These complexes were characterized using FT-IR, UV-Vis, Diffuse reflectance UV-Vis, elemental analysis and conductivity. Complex III was characterized by XRD single crystal, which crystallizes in the triclinic system, space group P-1, with lattice parameters a?=?9.5444(2) Å, b?=?11.9407(2) Å, c?=?21.1732(3) Å, V?=?2390.24(7) ų, D _c ?=?1.408 Mg m^?3, Z?=?4, F(000)?=?1050, GOF?=?0.981, R1?=?0.0502, wR2?=?0.1205. Luminescence property of these complexes was investigated in DMF solution and in the solid state. Computational study of the electronic properties of complex III showed good agreement with the experimental data.     

Intersubband cyclotron resonance of holes in strained Ge/GeSi(111) heterostructures with germanium wide quantum wells and cyclotron resonance of 1<Emphasis Type="Italic">L</Emphasis> electrons in GeSi layers

The submillimeter (?ω=0.5–5 meV) magnetoabsorption spectra of strained Ge/Ge_1?xSi_x(111) multilayer heterostructures with thick Ge layers (d_Ge=300–850 Å, d_GeSi≈200 Å, x≈0.1) are investigated at T=4.2 K upon band-gap optical excitation. It is revealed that the absorption spectra contain cyclotron resonance lines of 1L electrons localized in GeSi solid solution layers (unlike the previously studied structures with thin Ge layers as quantum wells for 3L electrons). The absorption spectra of the samples with thick Ge layers (d_Ge=800–850 Å) exhibit cyclotron resonance lines of holes due to transitions from the lower Landau levels in the first quantum-well subband to the Landau levels belonging to the third and fifth higher subbands.     

Die Hyperfeinstrukturaufspaltung des Grundzustandes2 S 1/2 und das magnetische Kerndipolmoment von Au197

The hyperfine structure of the groundstate 6s ² S _1/2 and the nuclear magnetic dipole moment of gold 197 have been studied by the atomic beam magnetic resonance technique. A special high frequency arrangement is described. The hyperfine structure separationΔ v was determined fromΔF=1 transitions. The magnetic dipole momentμ _I was measured by a direct method. The experiments yield the following results:Δv (²S_1/2)=(6099,309±0,010) Mc/secμ _I (Au¹⁹⁷)=+(0,1445±0,0014)μ _K.     

A new crystalline HMX polymorph: ɛ-HMX

A new crystalline HMX polymorph, ?-HMX, was obtained. ?-HMX crystals were studied by X-ray structure analysis, optical microscopy, and differential scanning calorimetry. Their space group is P2₁/c. The unit cell parameters are a = 21.799(3) Å, b = 10.913(2) Å, c = 10.819(2) Å, and β = 97.43(2)°, V = 2552.15 ų, Z = 4. ?-HMX molecules are not equivalent in crystals and have chair conformations. The heat of the polymorphic transition of ?-HMX into the δ-polymorph was measured. The transition occurred with the intermediate formation of β-HMX. The dependence between the heats of polymorphic transitions and the densities of crystals of various HMX polymorphs was demonstrated. The character of this dependence was to a substantial extent determined by the type of HMX molecule conformation.     

Curietemperatur und Kollektivmagnetisierung bei ein- und vielkristallinen dünnen Nickelschichten

With a method of observing the temperature dependence of therf-permeability the Curie temperatureΘ of evaporated thin films (thicknessD from 30 to 300 Å) of nickel with various structures was investigated. Monocrystalline samples withD about 50 Å showedΘ-values comparable to the bulk material. The behaviour of some polycrystalline and several granulated films depends to a large extent on the structure (varied by conditions of deposition). It may be explained with a model that treats aggregates of small ferromagnetic particles with a high spontaneous magnetization but an interaction that may be considerably weaker than the full ferromagnetic exchange coupling. There appears a transition (to superparamagnetism) temperatureT _A which can be much lower than the Curie temperature. The expected dependence of T_A on particle size fits approximately with the experimental results from therf-method and electron diffraction data at samples of various structures.     

Dispersion of the stress optic coefficient of the alkali halides

The dispersion of the stress optic coefficient C=n³/2 (q₁₁?q₁₂) of the alkali halides, NaCl, KCl, KBr and KI have been measured from the visible to the ultraviolet region. In general the value of “C” decreases with wavelength for all crystals. While the dispersion is only a few per cent in the visible region of wavelengths, it is enormous in the ultraviolet. NaCl shows a dispersion of about 100% from 5800 to 2400 Å; KCl about 200% from 5000 to 2400 Å; KBr about 300% from 5000 to 2400 Å; and KI about 400% from 5000 to 2800 Å. Also the potassium halides exhibit a change in sign of their “C” values in the ultraviolet. In KCl the sign reversal occurs at about 2550 Å; in KBr at 2760 Å and in KI at 3380 Å. Below these wavelengths, the potassium halides belong to the same class inMueller's classification as sodium chloride. The theory ofRamaseshan andSivaramakrishnan based on the assumption that a stress causes a change in the frequencies and oscillator strengths of atoms is unable to explain the observed behaviour of the alkali halides. On the other hand, the mere variation of the ionic refractivities with wavelength is also unable to explain the observed dispersion onMueller's theory. One is forced to assume that the strain polarisability constantK inMueller's theory varies with wavelength. When “K” is calculated from the experimentally observed values of “C”, it is found to increase with decreasing wavelength for all alkali halides. The variation with wavelength of “K” for all the alkali halides can be fitted up well by a formula of the type given byRamaseshan andSivaramakrishnan. Hence it appears that the total dispersion ofC can be explained only when we take into account the variation with wavelength of 1. theLorentz andCoulomb contributions fromMueller's theory and 2. the strain polarisability constant fromRamaseshan andSivaramakrishnan's theory.