ARPES studies of the electronic structure of LaOFe(P, As)

We report a comparison study of LaOFeP and LaOFeAs, two parent compounds of recently discovered iron-pnictide superconductors, using angle-resolved photoemission spectroscopy. Both systems exhibit some common features that are very different from well-studied cuprates. In addition, important differences have also been observed between these two ferrooxypnictides. For LaOFeP, quantitative agreement can be found between our photoemission data and the LDA band structure calculations, suggesting that a weak coupling approach based on an itinerant ground state may be more appropriate for understanding this new superconducting compound. In contrast, the agreement between LDA calculations and experiments in LaOFeAs is relatively poor, as highlighted by the unexpected Fermi surface topology around (π, π). Further investigations are required for a comprehensive understanding of the electronic structure of LaOFeAs and related compounds.     

An unusual synthesis of 3-(2-(arylamino)thiazol-4-yl)-2H-chromen-2-ones from ethyl 2-(chloromethyl)-2-hydroxy-2H-chromene-3-carboxylate via benzopyran ring opening

An unusual and unexpected synthesis of 3-(2-(arylamino)thiazol-4-yl)-2H-chromen-2-ones has been observed by the reaction of ethyl 2-(chloromethyl)-2-hydroxy-2H-chromene-3-carboxylate with various arylthioureas in ethanol under mild reaction conditions with excellent yields. The ambiguity in the structure of the obtained products has been solved by recording its single-crystal X-ray analysis. This protocol has been found to be a novel approach for the preparation of title compounds via benzopyran ring opening. A systematic plausible mechanism has been proposed for the formation of the product. Also, an efficient one-pot three-component method has been demonstrated for the formation of title compounds starting from salicylaldehyde.

     

Awaking the vacuum in relativistic stars

Void of any inherent structure in classical physics, the vacuum has revealed to be incredibly crowded with all sorts of processes in relativistic quantum physics. Yet, its direct effects are usually so subtle that its structure remains almost as evasive as in classical physics. Here, in contrast, we report on the discovery of a novel effect according to which the vacuum is compelled to play an unexpected central role in an astrophysical context. We show that the formation of relativistic stars may lead the vacuum energy density of a quantum field to an exponential growth. The vacuum-driven evolution which would then follow may lead to unexpected implications for astrophysics, while the observation of stable neutron-star configurations may teach us much on the field content of our Universe.     

Abnormal physics of group-Ⅱ telluride system:valence contribution of d electrons

The physical trend of group-Ⅱ tellurides is unexpected and contrary to the conventional wisdom. The present first- principles calculations give fundamental insights into the extent to which group-Ⅱ telluride compounds present special properties upon mixing the d valence character. Our results provide explanations for the unexpected experimental observations based on the abnormal binding ordering of metal d electrons and their strong perturbation to the band edge states. The insights into the binary tellurides are useful for the study and control of the structural and chemical perturbation in their ternary alloys and heterostructures.     

Metal-dimer atomic reconstruction leading to deep donor states of the anion vacancy in II-VI and chalcopyrite semiconductors

First-principles total-energy calculations reveal a novel local atomic reconstruction mode around anion vacancies in II-VI and chalcopyrite compounds resulting from the formation of metal dimers. As a consequence, the neutral Se vacancy has an unexpected low symmetry in ZnSe and becomes a deep donor in both ZnSe and CuGaSe2, contrary to the common belief regarding chalcopyrites. The calculated optical transition energies explain the hitherto puzzling absorption bands observed in the classic experiments of the color center in ZnS.     

Implications of the unusual structure in the pp correlation from Pb+Pb collisions at 158 AGeV

The recent NA49 measurement of two-proton correlation function shows an interesting and unexpected structure at large relative momentum. Applying source imaging techniques to the measurement, we find an unusually steep drop-off in the two-proton source function. We show that the steep drop-off is due to the structure in the correlation and the drop-off cannot be explained using conventional correlation analysis. We suggest possible physics reasons for the unusual source function.     

Precision synthesis,structure and function of helical polymers

Helical structures are chiral, which means that if we can synthesize a polymer having a stable one-handed helicity, the polymer is optically active. In 1979, we succeeded in the synthesis of a one-handed helical polymer from an optically inactive achiral monomer, triphenylmethyl methacrylate (TrMA). This is the first example of the asymmetric synthesis of an optically active one-handed helical polymer. The polymer (PTrMA) exhibited an unexpected high chiral recognition ability and afforded a practically useful chiral stationary phase (CSP) for high-performance liquid chromatography (HPLC) by coating it on silica gel. In addition, we also succeeded in the development of very useful CSPs for HPLC using the phenylcarbamate derivatives of polysaccharides, cellulose and amylose. These CSPs can efficiently resolve a broad range of chiral compounds, and have been used all over the world for separating and analyzing chiral compounds.     

μSR studies on CeAl2

μSR studies on REAl₂ type compounds have so far given rather inconclusive results since no μSR frequency has been observed in the ordered magnetic states. Therefore, the results from the paramagnetic region [1,2] have been interpreted without detailed knowledge of the muon site or the mobility of the muons. In the present study of a single crystal sample of CeAl₂ we investigated in some detail the paramagnetic temperature range including the transition region to magnetic ordering around 3.6 K. The ordered magnetic state is antiferromagnetic with a modulated structure [3], and the absence of a spontaneous μSR precession signal belowT _N is therefore not unexpected.     

Causal Structure of Vacuum Solutions to Conformal(Weyl) Gravity

Using Penrose diagrams the causal structure ofthe static spherically symmetric vacuum solution toconformal (Weyl) gravity is investigated. A strikingaspect of the solution is an unexpected physicalsingularity at r = 0 caused by a linear term in the metric.We explain how to calculate the deflection of light incoordinates where the metric is manifestly conformal toflat i.e. in coordinates where light movesin straight lines.     

A Wide Band Strong Acoustic Absorption in a Locally Network Anechoic Coating

Composite materials with interpenetrating network structures usually exhibit unexpected merit due to the cooperative interaction. Locally resonant phononic crystals （LRPC） exhibit excellent sound attenuation performance based on a periodical arrangement of sound wave scatters. Inspired by the interpenetrating network structure and the LRPC concept, we develop a locally network anechoic coating （LNAC） that can achieve a wide band of underwater strong acoustic absorption. The experimental results show that the LNAC possesses an excellent underwater acoustic absorbing capacity in a wide frequency range. Moreover, in order to investigate the impact of the interpenetrating network structure, we fabricate a faultage structure sample and the network is disconnected by hard polyurethane （PU）. The experimental comparison between the LNAC and the fanltage structure sample shows that the interpenetrating network structure of the LNAC plays an important role in achieving a wide band strong acoustic absorption.     

One atmosphere glow discharge structure revealed by computermodeling

A one-dimensional and self-consistent model of an atmospheric pressure, dielectric controlled, parallel-plate RF discharge is presented. The computer modeling provided information about the unexpected uniform glow structure of this discharge. The calculated parameters of the plasma, including the electric field, the potential, and the space charge density are analogous to those observed in a normal DC glow discharge. Images of plasma properties are presented and discussed     

Anomalous low-temperature heat capacity in antiperovskite compounds

The low-temperature heat capacities are studied for antiperovskite compounds AX M_3(A = Al, Ga, Cu, Ag, Sn, X = C,N, M = Mn, Fe, Co). A large peak in(C- γ T)/T~3 versus T is observed for each of a total of 18 compounds investigated,indicating an existence of low-energy phonon mode unexpected by Debye T~3 law. Such a peak is insensitive to the external magnetic field up to 80 k Oe(1 Oe = 79.5775 A·m-1). For compounds with smaller lattice constant, the peak shifts towards higher temperatures with a reduction of peak height. This abnormal peak in(C- γ T)/T~3 versus T of antiperovskite compound may result from the strongly dispersive acoustic branch due to the heavier A atoms and the optical-like mode from the dynamic rotation of X M_6 octahedron. Such a low-energy phonon mode may not contribute negatively to the normal thermal expansion in AX M_3 compounds, while it is usually concomitant with negative thermal expansion in open-structure material(e.g., ZrW_2O_8, Sc F_3).     

Ferromagnetic-to-antiferromagnetic transition in (Hf1−xTix)Fe2 intermetallic compounds induced by geometrical frustration of the Fe(2a) sites

The ferromagnetic-to-antiferromagnetic transition in the hexagonal (Hf_1−xTi_x)Fe₂ (0?x?1) intermetallic compounds has been investigated by ⁵⁷Fe Mössbauer spectroscopy. At 10 K, the transition occurs within rather narrow concentration limits, around x=0.55–0.65. We found that the key factor governing the unexpected quick change of the magnetic structure is the magnetic frustration of the Fe(2a) sites. The magnetic frustration is caused by the noncollinearity of the Fe(6h) magnetic sublattice. The noncollinearity arises from the rotation of the magnetic moments due to the competition between the ferromagnetic exchange interactions and the antiferromagnetic Fe(6h)–Ti–Fe(6h) interaction. In the compounds with x=0.4–0.6, the temperature transitions to the antiferromagnetic state are observed. As an example, the Hf_0.4Ti_0.6Fe₂ compound is completely antiferromagnetic above 200 K.     

Interplay between domain-wall resistance and surface scattering in ferromagnetic thin films

A positive domain-wall resistance at low temperatures has been reported in the literature for cobalt films with a perpendicular magnetic easy axis, in contrast to the behavior observed in microstructures made from cobalt, iron, and permalloy films with an in-plane easy axis and to that seen in perpendicular iron–palladium thin-film compounds. This phenomenon is unexpected if only domain-wall or Fermi-surface properties are considered. It can, however, be understood if an existing domain-wall resistance is considered which is compensated by a magnetoresistance effect arising from surface scattering in a thin film with closure domains. A theory that properly accounts for this interplay between domain-wall resistance and surface scattering is presented and employed to analyze existing experimental data. PACS 75.60.Ch; 75.70.Ak; 75.70.Pa     

Isotope effects in vibrational excitation and dissociative electron attachment of DCl and DBr

The results of calculations of vibrational excitation and dissociative electron attachment cross-sections of DCl and DBr are reported. The calculations are based on the nonlocal resonance model for electron-HCl/HBr scattering. The cross-sections for many initial rovibrational target states were calculated both for the hydrogenated and the deuterated compounds. The calculations reveal an unexpected result: the vibrational excitation cross-section of the deuterated molecule may in some cases be (significantly) larger than that of the hydrogenated compound. This effect is observed when the target molecule is initially excited to a vibrational state the energy of which is close to the threshold of dissociative attachment. Rotational excitation of the target molecule plays a similar role. Isotope effects in dissociative electron attachment are also discussed.     

Effect of monomer geometry on the fractal structure of colloidal rod aggregates

The fractal structure of clusters formed by diffusion-limited aggregation of rodlike particles is characterized over three decades of the scattering vector q, and displays an unexpected dependence on the aspect ratio of the constituent monomers. Monte Carlo simulations of aggregating Brownian rods corroborate the experimental finding that the measured fractal dimension is an increasing function of the monomer aspect ratio. Moreover, increasing the rod aspect ratio eliminates the structural distinction between diffusion- and reaction-limited cluster aggregation that is observed for spheres.     

Strong phonon replicas in be 1s photoemission spectra

The Be 1s core level photoemission line from metallic Be is shown to contain unexpected internal fine structure. We argue that this fine structure is caused by intrinsic excitation of a narrow band of optical phonons in the 1s photoemission process. The general importance of the present results for high resolution core level photoemission investigations of metals is pointed out.     

Stimulated Raman scattering of lattice translational modes in liquid heavy water

A study was conducted on stimulated Raman scattering (SRS) when laser-induced plasma is formed in heavy water by focusing an intense picosecond pulsed Nd:YAG laser beam with wavelength 532 nm at room temperature. An unexpected 280 cm(-1) low frequency SRS line attributed to the lattice translational modes is observed. This SRS line and the internal-mode SRS lines indicate that the ice VII structure is formed in heavy water under the condition of laser-induced shockwave production.     

Electronic structure of three-dimensional quantum dots

We study the electronic structure of three-dimensional quantum dots using the Hartree-Fock approximation. The confining potential of the electrons in the quantum dot is assumed to be spatially isotropic and harmonic. For up to 40 interacting electrons the ground-state energies and ground-state wavefunctions are calculated at various interaction strengths. The quadrupole moments and electron densities in the quantum dot are computed. Hund's rule is confirmed and a shell structure is identified via the addition energies and the quadrupole moments. While most of the shell structure can be understood on the basis of the unperturbed non-interacting problem, the interplay of an avoided crossing and the Coulomb interaction results in an unexpected closed shell for 19 electrons. Received 5 November 2001 / Received in final form 12 November 2002 Published online 1st April 2003 RID="a" ID="a"e-mail: vorrath@physnet.uni-hamburg.de     

A q-deformation of the harmonic oscillator

The q-deformed harmonic oscillator is studied in the light of q-deformed phase space variables. This allows a formulation of the corresponding Hamiltonian in terms of the ordinary canonical variables x and p. The spectrum shows unexpected features such as degeneracy and an additional part that cannot be reached from the ground state by creation operators. The eigenfunctions show lattice structure, as expected.