Coherent potential approximation for a disordered diatomic linear chain having diagonal and off-diagonal randomness

A coherent potential approximation (cpa) for a mixed diatomic linear chain including both mass and force constant changes has been developed. In this case an impurity atom substituted at a particular site in one of the sublattices couples with two nearest neighbour atoms in the other sublattices. The diatomic linear chain is therefore considered as a tetratomic linear chain, the size of the unit cell being twice the original. Thecpa density of states and the dielectric susceptibility have been calculated. The numerical values of the later have been calculated in theata (averaget-matrix approximation) limit. Comparison of these results with the experimental and other computer calculations show a qualitative agreement.     

Turbulence investigations during ergodic divertor operation with induced 2/1 tearing mode

Within the last year of TEXTOR operation a major part of the experiments were dedicated to the interaction of the ergodized plasma edge, induced by the dynamic ergodic divertor (DED), with the core plasma. Systematic experiments are performed in the 3/1 configuration of the DED. Depending on , the DED generates a locked 2/1 mode in the plasma at a critical current in the DED coils. Different diagnostics were used to measure the plasma response in the core and edge. The investigations in this paper are focused on the measurement of density fluctuation and the analysis of the coherent-mode structure outside the q = 2 surface using O-mode poloidal correlation reflectometry. A reduction of the quasi-coherent mode amplitude and frequency is observed, caused by the 2/1 mode together with a decrease of the density scale length. Moreover, the deduced poloidal rotation velocity at the q = 3 surface changes from the electron to the ion diamagnetic drift direction with the onset of the 2/1 island. Also a reduction of the density fluctuations is observed as well as a decrease in the poloidal correlation length. From Ar-injection a delayed inward propagation of the emission maximum is observed for different Ar ionization stages when the 2/1 mode is generated.Similar experiments with a slowly rotating DED show that the steepened density gradients are spatially localized and confirm the hypothesis that the 2/1 mode is responsible for the observations.Presented at the Workshop Electric Fields Structures and Relaxation in Edge Plasmas, Nice, France, October 26–27, 2004.     

Heavy alkaline earth metal pyrazolates: synthetic pathways, structural trends, and comparison with divalent lanthanoids

Two series of heavy alkaline earth metal pyrazolates, [M(Ph(2)pz)(2)(thf)(4)] 1 a-c (Ph(2)pz=3,5-diphenylpyrazolate, M=Ca, Sr, Ba; THF=tetrahydrofuran) and [M(Ph(2)pz)(2)(dme)(n)] (M=Ca, 2 a, Sr, 2 b, n=2; M=Ba, 2 c, n=3; DME=1,2-dimethoxyethane) have been prepared by redox transmetallation/ligand exchange utilizing Hg(C(6)F(5))(2). Compounds 1 a and 2 b were also obtained by redox transmetallation with Tl(Ph(2)pz). Alternatively, direct reaction of the alkaline earth metals with 3,5-diphenylpyrazole at elevated temperatures under solventless conditions yielded compounds 1 a-c and 2 a-c upon extraction with THF or DME. By contrast, [M(Me(2)pz)(2)(Me(2)pzH)(4)] 3 a-c (M=Ca, Sr, Ba; Me(2)pzH=3,5-dimethylpyrazole) were prepared by protolysis of [M[N(SiMe(3))(2)](2)(thf)(2)] (M=Ca, Sr, Ba) with Me(2)pzH in THF and by direct metallation with Me(2)pzH in liquid NH(3)/THF. Compounds 1 a-c and 2 a-c display eta(2)-bonded pyrazolate ligands, while 3 a,b exhibit eta(1)-coordination. Complexes 1 a-c have transoid Ph(2)pz ligands and an overall coordination number of eight with a switch from mutually coplanar Ph(2)pz ligands in 1 a,b to perpendicular in 1 c. In eight coordinate 2 a,b the pyrazolate ligands are cisoid, whilst 2 c has an additional DME ligand and a metal coordination number of ten. By contrast, 3 a,b have octahedral geometry with four eta(1)-Me(2)pzH donors, which are hydrogen-bonded to the uncoordinated nitrogen atoms of the two trans Me(2)pz ligands. The application of synthetic routes initially developed for the preparation of lanthanoid pyrazolates provides detailed insight into the similarities and differences between the two groups of metals and structures of their complexes.     

Analysis of the Electronic Vibrational Spectra of Bisanthene by Calculating Normal Modes

At 4.2 K, the quasiline fluorescence and fluorescence-excitation spectra (in the region of the S ₁ S ₀- and S ₂ S ₀ transitions) of bisanthene in n-hexane have been obtained. Using the MO/M8ST method, the calculation of the A _g normal modes in the S ₀, S ₁, and S ₂ electronic states was carried out for the bisanthene molecule; the relative intensities of the transitions in the corresponding vibronic spectra were also calculated. The analysis of the results of calculations and experiment made it possible to draw conclusions on the form of the modes for a number of normal vibrations which are active in the bisanthene vibronic spectra.     

Entropy of Einstein—Maxwell-Dilaton—Axion Black Holes

The entropy of Einstein—Maxwell-dilaton—axion black holes is calculated by using the improved brick-wall model. Taking into account of the statistical physics, we propose not to consider the superradiant modes. The result shows that the nonsuperradiant modes do contribute exactly the area-law entropy for extreme black hole. Moreover, our cut-off which does not require an angular cut-off is independent of angle . As for the extreme black hole, we found that its entropy is zero.     

Theoretical study of rhodium(I) carbene complexes: the structural versatility of phosphino- compared with aminocarbenes

Density functional calculations are reported for complexes of general formula [(carbene)RhClL(2)] featuring model phosphino- and aminocarbenes. Both the cis and trans isomers of the rhodium(I) eta(1)-complexes (1-9) were investigated, and the influence of the rhodium co-ligands (L=ethylene, phosphine, or carbon monoxide) was evaluated. In the case of phosphinocarbenes and carbon monoxide as a ligand, a somewhat unusual coordination mode was observed, in which a significant intramolecular Cl-->C(carbene) interaction is present. The propensity of phosphino- and aminocarbenes to behave as four electron donors was also investigated both structurally and energetically on the related eta(2)-complexes 10-18. These results as a whole emphasize the structural versatility of phosphino- compared with aminocarbene complexes.