On the separation of electronic and nuclear motion for molecules in an intense electromagnetic wave

The separation of electronic and nuclear variables is considered for a molecule in an intense electromagnetic field with frequency ω close to some electronic transition frequency. In this case the electron potential curves are essentially modified and a new branch of the vibrational spectrum can appear which has no counterpart in the original spectrum.     

Uncertainty and Certainty Relations for Pauli Observables in Terms of Renyi Entropies of Order α∈ （0; 1]

We obtain uncertainty and certainty relations of state-independent form for the three Paufi observables with use of the Renyi entropies of order α∈ （0; 1]. It is shown that these entropic bounds are tight in the sense that they are always reached with certain pure states. A new result is the condition for equality in Renyi-entropy uncertainty relations for the Pauli observables. Upper entropic bounds in the pure-state case are also novel. Combining the presented bounds leads to a band, in which the rescaled average Renyi a-entropy ranges for a pure measured state. A width of this band is compared with the Tsallis formulation derived previously.     

Inverse TERS effect in methyl hydroxyethyl cellulose layers

The Raman scattering signal at the second harmonic (532 nm) of cw Nd:YAG laser in a 0.5-μm-thick methyl hydroxyethyl cellulose film on a gold substrate is found to be attenuated when a platinum-iridium probe (with a tip radius of about 10 nm) of a scanning tunnel microscope is brought close (at a distance of 6 to 8 nm) to the surface. The fluorescence signal barely changes under these conditions.     

Spectroscopy of persistent hole burning in the quantum dot-matrix system: Quantum-confined stark effect and electroabsorption

A theory of persistent spectral hole burning is developed. Within a simple, exactly solvable model (a cubic potential well with infinitely high walls in a uniform electric field), the energy spectrum and the rate of electron-hole pair generation are determined with due regard for the effect of the field induced in this case owing to the spatial separation of electrons and holes. The dependence of the energy spectrum on the field vector orientation relative to the symmetry axes of a quantum dot is studied. An expression describing the shape of the differential spectrum is derived.     

Synthesis and study of manganese-containing endohedral fullerenes

Fullerenes containing manganese and iron atoms are synthesized in a high-frequency carbonhelium plasma at atmospheric pressure. The electron paramagnetic resonance (EPR) spectrum of the synthesized compound contains not only lines attributed to iron atoms but also the lines of a manganese ion pair with an additional hyperfine structure. The latter lines are assigned to the endohedral complex Mn₂@C_n (n > 70). The possible existence of these structures is evaluated from quantum-chemical calculations of the optimum geometry of the endothedral fullerene Mn₂@C₈₄ with C _2v symmetry. It is found that the manganese atoms are spaced ～2.72 Å apart at the center of the molecule.     

Nanomechanical magnetization reversal

The dynamics of the ferromagnetic order parameter in thin magnetic films is strongly affected by the magnetomechanical coupling at certain resonance frequencies. By solving the equation of motion of the coupled mechanical and magnetic degrees of freedom we show that the magnetic field induced magnetization switching can be strongly accelerated by the lattice and illustrate the possibility of magnetization reversal by mechanical actuation.     

Photooxidation of Histidine by 3,3′,4,4′-Benzophenone Tetracarboxylic Acid in Aqueous Solution: Time-Resolved and Field-Dependent CIDNP Study

The photooxidation reaction between 3,3′,4,4′-benzophenone tetracarboxylic acid (TCBP) and l-histidine (His) has been investigated in neutral aqueous solution using the technique of chemically induced dynamic nuclear polarization (CIDNP). Relative values of ¹³C isotropic hyperfine couplings in the TCBP and His radicals were obtained from the ¹³C-time-resolved CIDNP spectrum, recorded during the photoreaction of TCBP with His at natural abundance of the magnetic isotope ¹³C. Good agreement was found for the hyperfine coupling constants of the TCBP ketyl radical calculated using methods of density functional theory, and those obtained from the ¹³C-time-resolved CIDNP spectrum. The mechanism of the quenching reaction of triplet-excited TCBP by His in neutral aqueous solution was established. ¹H CIDNP field dependencies for the photoreaction of TCBP with His were obtained and the g-factor of the histidyl radical was found.     

Elastic moduli of η‐Ta2N3, a tough self‐healing material,via laser ultrasonics

The elastic moduli of the dense polycrystalline oxygen‐bearing η‐Ta₂N₃, a novel hard and tough high‐pressure (HP) material, were measured using the laser ultrasonic technique. The bulk modulus was determined to be B₀ = 281(15) GPa which is only ～11% below that from HP compression measurements. Our value of the shear modulus G₀ = 123(2) GPa is below those ones predicted theoretically for model structures. The discrepancies in G₀ could be due to a substitution of an‐ ions and the formation of cation vacancies in η‐Ta₂N₃. Self‐healing behaviour of η‐Ta₂N₃ by mechanical polishing was observed and confirmed by two independent experimental methods. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Electronic properties of iron arsenic high temperature superconductors revealed by angle resolved photoemission spectroscopy (ARPES)

We present an overview of the electronic properties of iron arsenic high temperature superconductors with emphasis on low energy band dispersion, Fermi surface and superconducting gap. ARPES data is compared with full-potential linearized plane wave (FLAPW) calculations. We focus on single layer NdFeAsO_0.9F_0.1 (R1111) and two layer Ba_1?xK_xFe₂As₂ (B122) compounds. We find general similarities between experimental data and calculations in terms of character of Fermi surface pockets, and overall band dispersion. We also find a number of differences in details of the shape and size of the Fermi surfaces as well as the exact energy location of the bands, which indicate that magnetic interaction and ordering significantly affects the electronic properties of these materials. The Fermi surface consists of several hole pockets centered at Γ and electron pockets located in zone corners. The size and shape of the Fermi surface changes significantly with doping. Emergence of a coherent peak below the critical temperature T_c and diminished spectral weight at the chemical potential above T_c closely resembles the spectral characteristics of the cuprates, however the nodeless superconducting gap clearly excludes the possibility of d-wave order parameter. Instead it points to s-wave or extended s-wave symmetry of the order parameter.