Low resistance Cu[3]Ge compounds formation by the lowtemperature treatment of Cu/Ge system in atomic hydrogen

The research deals with the regularities for Cu[3]Ge compound formation under the low temperature treatment of a double-layer Cu/Ge system deposited on i-GaAs substrate in atomic hydrogen flow. The treatment of a Cu/Ge/i-GaAs system with layer thicknesses, respectively, of 122 and 78 nm, in atomic hydrogen with a flow rate of 10{15} at.·сm{-2} s{-1} for a duration of 2.5{-10} min at room temperature, leads to an interdiffusion of Cu and Ge and formation of a polycrystalline film containing stoichiometric phase Cu[3]Ge. The film consists of vertically oriented grains of dimensions 100-150 nm and has a minimum specific resistance of 4.5 [mu omega] сm. Variation in the treatment duration of Cu/Ge/i-GaAs samples in atomic hydrogen affects Cu and Ge distribution profiles, the phase composition of films formed, and the specific resistance of the latter. As observed, Cu3Ge compound synthesis at room temperature demonstrates the stimulative effects characteristic of atomic hydrogen treatment for both Cu and Ge diffusion and for the chemical reaction of Cu[3]Ge compound generation. Activation of these processes can be conditioned by the energy released during recombination of hydrogen atoms adsorbed on the surface of a Cu/Ge/i-GaAs sample

Understanding hysteresis in carbon dioxide sorption in porous metal-organic frameworks

Two new isostructural microporous coordination frameworks [Mn3(Hpdc)2­(pdc)2] (1) and [Mg3(Hpdc)2­(pdc)2] (2) (pdc2– = pyridine-2,4-dicarboxylate) showing primitive cubic (pcu) topology have been prepared and characterized. The pore aperture of the channels is too narrow for the efficient adsorption of N2; however, both compounds demonstrate substantially higher uptake of CO2 (119.9 mL·g–1 for 1 and 102.5 mL·g–1 for 2 at 195 K, 1 bar). Despite of their structural similarities, 2 shows a typical reversible type I isotherm for adsorption/desorption of CO2, while 1 features a two-step adsorption process with a very broad hysteresis between the adsorption and desorption curves. This behavior can be explained by a combination of density functional theory calculations, sorption, and X-ray diffraction analysis and gives insights into the further development of new sorbents showing adsorption/desorption hysteresis

Applications of π-photon-induced transparency in two-frequency pulse electron paramagnetic resonance experiments

Bichromatic pulses were demonstrated to substitute the second mw source both in stimulated soft electron spin echo envelope modulation (SS-ESEEM) and four-pulse double electron-electron resonance (DEER) experiments. As such, the results were compared to those obtained using traditional techniques. The behavior of bichromatic pulses which fulfill the transparency or near-transparency condition was investigated, and recommendations for obtaining optimum results were given

Synthesis and Single-Electron Oxidation of Bulky Bis(m-terphenyl)chalcogenides: The Quest for Kinetically Stabilized Radical Cations

Sterically encumbered bis(m-terphenyl)chalcogenides, (2,6-Mes2C6H3)2E (E=S, Se, Te) were obtained by the reaction of the chalcogen tetrafluorides, EF4, with three equivalents of m-terphenyl lithium, 2,6-Mes2C6H3Li. The single-electron oxidation of (2,6-Mes2C6H3)2Te using XeF2/K[B(C6F5)4] afforded the radical cation [(2,6-Mes2C6H3)2Te][B(C6F5)4] that was isolated and fully characterized. The electrochemical oxidation of the lighter homologs (2,6-Mes2C6H3)2E (E=S, Se) was irreversible and impaired by rapid decomposition

Effective Field and the Bloch-Siegert Shift at Bihromatic Excitation of Multiphoton EPR

The dynamics of multiphoton transitions in a two-level spin system excited by transverse microwave and longitudinal RF fields with the frequencies w_{mw} and w_{rf}, respectively, is analyzed. The effective time-independent Hamiltonian describing the "dressed" spin states of the "spin + bichromatic field" system is obtained by using the Krylov-Bogoliubov-Mitropolsky averaging method. The direct detection of the time behavior of the spin system by the method of nonstationary nutations makes it possible to identify the multiphoton transitions for resonances w_{0} = w_{mw} + rw_{rf} (w_{0} is the central frequency of the EPR line, r = 1, 2), to measure the amplitudes of the effective fields of these transitions, and to determine the features generated by the inhomogeneous broadening of the EPR line. It is shown that the Bloch-Siegert shifts for multiphoton resonances at the inhomogeneous broadening of spectral lines reduce only the nutation amplitude but do not change their frequencies.Comment: 6 pages, 5 figure

Easy-plane to easy-axis anisotropy switching in a Co(ii) single-ion magnet triggered by the diamagnetic lattice

Single ion magnets SIMs with large magnetic anisotropy are promising candidates for realization of single molecule based magnetic memory and qubits. Creation of materials with magnetically uncoupled spatially separated SIMs requires dilution in a diamagnetic matrix. Herein, we report that progressive dilution of paramagnetic Co II by diamagnetic Zn II in the SIM [CoxZn 1 amp; 8722;x piv 2 2 NH2 Py 2], x 1 0 beyond a threshold of 50 reveals an abrupt structural change, where the distorted tetrahedral Zn coordination structure is superimposed on the remaining Co ions, which were initially in a distorted octahedral environment. Dilution induced structure modification switches the magnetic anisotropy from easy plane D 36.7 cm amp; 8722;1 to easy axis type D amp; 8722;23.9 cm amp; 8722;1 , accompanied by a fivefold increase of the magnetic relaxation time at 2 K. Changes of the static and dynamic magnetic properties are monitored by electron paramagnetic resonance spectroscopy and AC susceptibility measurements. Complementary quantum chemical ab initio calculations quantify the influence of structural changes on the electronic structure and the magnetic anisotropy. Thus, magnetic dilution hits two goals at once, the creation of isolated magnetic centres and an improvement of their SIM propertie

Modelling of regulatory factor and managerial impact assessment in the regional economy sectors: a case-study of the Kaliningrad region (Russia)

This article discusses the methodology of developing tools for assessing regulatory factors and managerial impacts on the regional economy and individual sectors and businesses. The potential of projection models is investigated, including balance models, convergence of regional and sectoral projection and compiling reliable and representative data sets capable of describing the current economic situation. An attempt was made to develop a series of models for several regional economies; to that end, the modelling of managerial and regulatory impact assessment was used in combination with the well-known value chain approach. In the interests of effective public administration, one of the requirements is to create sectoral model formats compatible with the regional projection models. Results of pilot modelling managerial and regulatory impacts on Kaliningrad region’s economies are presented through examples of agribusiness, transport, industry, tourism and recreation. Implementation of regulatory impact modelling in the framework of the suggested approach is proved for other regions. The main advantage of the developed models for the regional management is their ability to reduce uncertainty in decision-making due to obtaining estimates of the impact of the decisions on the changing situation and the conditions for the development of sectors and industries

Electronic origins of photocatalytic activity in d0 metal organic frameworks

Metal-organic frameworks (MOFs) containing d0 metals such as NH2-MIL-125(Ti), NH2-UiO-66(Zr) and NH2-UiO-66(Hf) are among the most studied MOFs for photocatalytic applications. Despite structural similarities, we demonstrate that the electronic properties of these MOFs are markedly different. As revealed by quantum chemistry, EPR measurements and transient absorption spectroscopy, the highest occupied and lowest unoccupied orbitals of NH2-MIL-125(Ti) promote a long lived ligand-to-metal charge transfer upon photoexcitation, making this material suitable for photocatalytic applications. In contrast, in case of UiO materials, the d-orbitals of Zr and Hf, are too low in binding energy and thus cannot overlap with the π* orbital of the ligand, making both frontier orbitals localized at the organic linker. This electronic reconfiguration results in short exciton lifetimes and diminishes photocatalytic performance. These results highlight the importance of orbital contributions at the band edges and delineate future directions in the development of photo-active hybrid solids