A method for calculating the parameters of formation of vacancies in crystals formed by spherically symmetrical atoms was developed. Both quantum effects at low temperatures and the possibility of the delocalization of atoms at high temperatures were studied. The parameters of formation of vacancies in carbon subgroup element crystals C-diam, Si, Ge, α-Sn, and Pb were calculated. The inclusion of the delocalization of atoms was shown to increase the enthalpy, entropy, and volume of vacancy formation. At low temperatures, the parameters of vacancy formation were found to depend strongly on the temperature, and the entropy of vacancy formation became negative. At high temperatures, close agreement with experimental data and theoretical estimates reported by other authors was obtained. The temperature dependence of vacancy parameters was studied for diamond heated isobarically from 100 to 4500 K. The applicability scope of the Arrhenius equation with a temperature-independent activation energy is discussed. The validity of the “compensation rule” (correlation between the entropy and enthalpy of vacancy formation) was demonstrated. It was also shown that the volume and entropy of vacancy formation were correlated over the whole temperature range studied.
The diversity of products in the reaction of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) and activated
acetylenes with PIII compounds bearing oxygen or nitrogen substituents is discussed. New findings that are useful in understanding the nature
of intermediates involved in the Mitsunobu reaction are highlighted. X-ray structures of two new compounds (2-t-Bu-4-MeC6H3O)P (μ-N-t-Bu)2P+[(NH-t-Bu)N[(CO2]-i-Pr)(HNCO2-i-Pr)]](Cl-)(2-t-Bu-4-MeC6H3OH)(23)and [CH2(6-t-Bu-4-Me-C6H2O)2P(O)C(CO2Me)C-(CO2Me)CClNC(O)Cl] (33) are also reported. The structure of23 is close to one of the intermediates proposed in the Mitsunobu reaction. 相似文献
A physical program of irradiation of emulsions in beams of relativistic nuclei named the BECQUEREL Project is reviewed. It is destined to study in detail the processes of relativistic fragmentation of light radioactive and stable nuclei. The expected results would make it possible to answer some topical questions concerning the cluster structure of light nuclei. Owing to the best spatial resolution, the nuclear emulsions would enable one to obtain unique and evident results. The most important irradiations will be performed in the secondary beams of He, Be, B, C, and N radioactive nuclei formed on the basis of JINR Nuclotron beams of stable nuclei. We present results on the charged state topology of relativistic fragmentation of the 10B nucleus at low energy-momentum transfers as the first step of the research. 相似文献
The results of calculations of the elastic scattering cross section of positrons on noble gas and alkali atoms are presented. The calculations are performed within the one-electron Hartree-Fock approximation with multielectron correlations in the so-called random phase approximation with exchange taken into account. Virtual positronium formation is taken into account and proved to be very important. Arguments are presented that the positron polarization potential is repulsive for alkali atoms. The results obtained are in a reasonable agreement with experiment and with some previously reported calculations. 相似文献
The surface of hydrogen-sensitive GaAs Schottky diodes is modified by nonpolishing etching and by producing quantum wells and quantum dots in the space-charge region of the semiconductor. The sensitivity to hydrogen is found to increase by a factor of 8–37 after the etching and by two or three orders of magnitude after the introduction of quantum wells and dots. It is shown that the increased sensitivity is associated with the lowering of the barrier at the Pd/GaAs interface, the retardation of hydrogen diffusion into GaAs due to the presence of strained quantum-size layers, and an increase in the recombination current. The presence of the recombination component is supported by luminescence from the quantum wells and quantum dots, as well as from the GaAs substrate. The etch composition is shown to be a decisive factor in raising the sensitivity. 相似文献
Solid state nuclear track detectors are commonly used for measurements of concentrations of radon gas and/or radon progeny. All these measurements depend critically on the thickness of the removed layer during etching. However, the thickness of removed layer calculated using the etching period does not necessarily provide a sufficiently accurate measure of the thickness. For example, the bulk etch rate depends on the strength of stirring during etching for the LR 115 detector. We propose here to measure the thickness of the removed layer by using energy-dispersive X-ray fluorescence spectrometry. In the present work, a reference silver nitrate pellet is placed beneath the LR 115 detector, and the fluorescence X-ray intensity for silver is then measured. We have found a linear relationship between the X-ray intensity and the thickness of the removed layer for LR 115 detector. This provides a fast method to measure the thickness of removed layer from etching of LR 115 detector. However, this method was found to be inapplicable for the CR-39 detector. Therefore, alternative methods have yet to be explored for the CR-39 detector. 相似文献
We study the similarity of perturbed compact operators to operators of block-diagonal structure with respect to some family of orthogonal projection operators, which allows us to refine and essentially strengthen results due to R. Turner. We obtain information about the operator realizing the similarity transformation, present estimates for the eigenvalues and eigenvectors of the perturbed operator, and also study the inverse problem of spectral analysis. 相似文献
Molecules of the title compound, C12H13ClN4, are linked by two independent N—H...N hydrogen bonds into a chain of edge‐fused R22(8) rings. The significance of this study lies in its attempt to rationalize the patterns of supramolecular aggregation in the title compound and in a range of analogous 4,6‐disubstituted 2‐aminopyrimidines. 相似文献