Magnetoelastic nature of solid oxygen epsilon-phase structure

For a long time a crystal structure of high-pressure epsilon-phase of solid oxygen was a mistery. Basing on the results of recent experiments that have solved this riddle we show that the magnetic and crystal structure of epsilon-phase can be explained by strong exchange interactions of antiferromagnetic nature. The singlet state implemented on quaters of O2 molecules has the minimal exchange energy if compared to other possible singlet states (dimers, trimers). Magnetoelastic forces that arise from the spatial dependence of the exchange integral give rise to transformation of 4(O2) rhombuses into the almost regular quadrates. Antiferromagnetic character of the exchange interactions stabilizes distortion of crystal lattice in epsilon-phase and impedes such a distortion in long-range alpha- and delta-phases.Comment: 11 pages, 4 figures, Changes: corrected typos, reference to the recent paper is adde

Darboux transformation for two component derivative nonlinear Schr\"odinger equation

In this paper, we consider the two component derivative nonlinear Schr\"{o}dinger equation and present a simple Darboux transformation for it. By iterating this Darboux transformation, we construct a compact representation for the $N-$soliton solutions.Comment: 12 pages, 2 figure

Intermediate phase, network demixing, boson and floppy modes, and compositional trends in glass transition temperatures of binary AsxS1-x system

The structure of binary As_xS_{1-x} glasses is elucidated using modulated-DSC, Raman scattering, IR reflectance and molar volume experiments over a wide range (8%<x<41%) of compositions. We observe a reversibility window in the calorimetric experiments, which permits fixing the three elastic phases; flexible at x<22.5%, intermediate phase (IP) in the 22.5%<x<29.5% range, and stressed-rigid at x>29.5%. Raman scattering supported by first principles cluster calculations reveal existence of both pyramidal (PYR, As(S1/2)3) and quasi-tetrahedral(QT, S=As(S1/2)3) local structures. The QT unit concentrations show a global maximum in the IP, while the concentration of PYR units becomes comparable to those of QT units in the phase, suggesting that both these local structures contribute to the width of the IP. The IP centroid in the sulfides is significantly shifted to lower As content x than in corresponding selenides, a feature identified with excess chalcogen partially segregating from the backbone in the sulfides, but forming part of the backbone in selenides. These ideas are corroborated by the proportionately larger free volumes of sulfides than selenides, and the absence of chemical bond strength scaling of Tgs between As-sulfides and As-selenides. Low-frequency Raman modes increase in scattering strength linearly as As content x of glasses decreases from x = 20% to 8%, with a slope that is close to the floppy mode fraction in flexible glasses predicted by rigidity theory. These results show that floppy modes contribute to the excess vibrations observed at low frequency. In the intermediate and stressed rigid elastic phases low-frequency Raman modes persist and are identified as boson modes. Some consequences of the present findings on the optoelectronic properties of these glasses is commented upon.Comment: Accepted for PR

The lesson of causal discovery algorithms for quantum correlations: Causal explanations of Bell-inequality violations require fine-tuning

An active area of research in the fields of machine learning and statistics is the development of causal discovery algorithms, the purpose of which is to infer the causal relations that hold among a set of variables from the correlations that these exhibit. We apply some of these algorithms to the correlations that arise for entangled quantum systems. We show that they cannot distinguish correlations that satisfy Bell inequalities from correlations that violate Bell inequalities, and consequently that they cannot do justice to the challenges of explaining certain quantum correlations causally. Nonetheless, by adapting the conceptual tools of causal inference, we can show that any attempt to provide a causal explanation of nonsignalling correlations that violate a Bell inequality must contradict a core principle of these algorithms, namely, that an observed statistical independence between variables should not be explained by fine-tuning of the causal parameters. In particular, we demonstrate the need for such fine-tuning for most of the causal mechanisms that have been proposed to underlie Bell correlations, including superluminal causal influences, superdeterminism (that is, a denial of freedom of choice of settings), and retrocausal influences which do not introduce causal cycles.Comment: 29 pages, 28 figs. New in v2: a section presenting in detail our characterization of Bell's theorem as a contradiction arising from (i) the framework of causal models, (ii) the principle of no fine-tuning, and (iii) certain operational features of quantum theory; a section explaining why a denial of hidden variables affords even fewer opportunities for causal explanations of quantum correlation

Two-Pulse Propagation in Media with Quantum-Mixed Ground States

We examine fully coherent two-pulse propagation in a lambda-type medium, under two-photon resonance conditions and including inhomogeneous broadening. We examine both the effects of short pulse preparation and the effects of medium preparation. We contrast cases in which the two pulses have matched envelopes or not, and contrast cases in which ground state coherence is present or not. We find that an extended interpretation of the Area Theorem for single-pulse self-induced transparency (SIT) is able to unify two-pulse propagation scenarios, including some aspects of electromagnetically-induced transparency (EIT) and stimulated Raman scattering (SRS). We present numerical solutions of both three-level and adiabatically reduced two-level density matrix equations and Maxwell's equations, and show that many features of the solutions are quickly interpreted with the aid of analytic solutions that we also provide for restricted cases of pulse shapes and preparation of the medium. In the limit of large one-photon detuning, we show that the two-level equations commonly used are not reliable for pulse Areas in the 2$\pi$ range, which allows puzzling features of previous numerical work to be understood.Comment: 28 pages, 7 figures. Replaced with version accepted in PR

ZnO@ZIF-8: Gas sensitive core-shell hetero-structures show reduced cross-sensitivity to humidity

A ‘lawn-like’ distribution of interconnected zinc oxide nanorods, coated with a metal-organic compound based on zeolitic imidazolate frameworks – ZIF-8 was prepared on microstructured thin-film interdigitated Pt-electrodes forming ZnO@ZIF-8 core-shell heterostructures and investigated as gas sensor material in relation to the identical, but uncovered pure ZnO-layer. This composite combines the gas sensing properties of the metal oxide ZnO with the specific properties of the metal-organic framework material which result in a distinct change of the conditions of gas sensing at the ZnO/ZIF-8-interface. Herein, for the first time it is reported that as prepared ZnO@ZIF-8 composite material is an attractive choice to reduce the cross-sensitivity to water vapour (humidity) in the gas sensing response towards propene and ethene. The observed change of sensitivity in relation to uncovered ZnO is discussed to be due to (i) the specific interaction of the ZIF-8 at the interface with the ZnO taking influence on the gas reaction processes, (ii) the diffusivity of ZIF-8 for the different gas components, and (iii) the sorption behaviour of the used gases at the ZnO interface and inside the ZIF-8 material

Second harmonic generation: Goursat problem on the semi-strip and explicit solutions

A rigorous and complete solution of the initial-boundary-value (Goursat) problem for second harmonic generation (and its matrix analog) on the semi-strip is given in terms of the Weyl functions. A wide class of the explicit solutions and their Weyl functions is obtained also.Comment: 20 page

Interconversion of one-dimensional Thiogallates Cs2[Ga2(S2)2-xS2+x] (x = 0, 1, 2) by using high-temperature Decomposition and Polysulfide-Flux Reactions

The potential of cesium polysulfide-flux reactions for the synthesis of chalcogenogallates was investigated by using X-ray diffraction and Raman spectroscopy. An investigation of possible factors influencing the product formation revealed that only the polysulfide content x in the Cs2Sx melts has an influence on the crystalline reaction product. From sulfur-rich melts (x > 7), CsGaS3 is formed, whereas sulfur-poor melts (x < 7) lead to the formation of Cs2Ga2S5- In situ investigations using high-temperature Raman spectroscopy revealed that the crystallization of these solids takes place upon cooling of the melts. Upon heating, CsGaS3 and Cs2Ga2S5 release gaseous sulfur due to the degradation of S-2(2-) units. This decomposition of CsGaS3 to Cs2Ga2S5 and finally to CsGaS2-mC16 was further studied in situ by using high-temperature X-ray powder diffraction. A combination of the polysulfide reaction route and the high-temperature decomposition leads to the possibility of the directed interconversion of these thiogallates. The presence of disulfide units in the anionic substructures of these thiogallates has a significant influence on the electronic band structures and their optical properties. This influence was studied by using UV/vis-diffuse reflectance spectroscopy and DFT simulations, revealing a trend of smaller band gaps with increasing S-2(2-) content