Laser properties of coactivated YAP: Nd free of colour centres

YAP:Nd, Cr grown under Ar-H₂ or Ar-He-H₂ atmosphere possesses good energy transfer from Cr³⁺ to Nd³⁺ but suffers from the colour centre formation. The centre formation was completely prevented using further admixture of Ce³⁺ and 10^–4–10^–3 wt. % Fe. Small luminescence quenching of Cr³⁺ or Nd³⁺ due to iron ions is negligible in the presence of Ce³⁺. The crystals may be also heavily doped with Nd³⁺ because the increased pumping efficiency compensates the shortening of the luminescence lifetime. YAP: Nd, Ce, Cr, Fe is advisible active laser material particularly for all the types of pulsed lasers.     

Ground-state correlation properties of charged bosons trapped in strongly anisotropic harmonic potentials

We study systems of a few charged bosons contained within a strongly anisotropic harmonic trap. A detailed examination of the ground-state correlation properties of two-, three-, and four-particle systems is carried out within the framework of the single-mode approximation of the transverse components. The linear correlation entropy of the quasi-1D systems is discussed in dependence on the confinement anisotropy and compared with a strictly 1D limit. Only at weak interaction the correlation properties depend strongly on the anisotropy parameter.     

Optimisation of a hybrid photoneutron source in a linear accelerator using GEANT4 and MCNPX Monte Carlo codes

The \(\alpha \) decay half-lives of hyper and normal isotopes of Po nuclei are studied in the present work. The inclusion of \(\Lambda \)–N interaction changes the half-life for \(\alpha \) decay. The theoretical predictions on the \(\alpha \) decay half-lives of normal Po isotopes are compared with experimental results and are seen to be matching well with each other. The neutron shell closure at \(N = 126\) is found to be the same for both normal and hypernuclei. The Geiger–Nuttal (G–N) law for \(\alpha \) decay is unaltered in the case of hypernuclei. The hypernuclei will decay into normal nuclei by mesonic or non-mesonic decay modes. Since the half-lives of normal Po nuclei are well within the experimental limits, our theoretical results suggest experimental verification of the \(\alpha \) emission from hyper Po nuclei in a cascade process.     

Optical absorption of 1-phenyl-3-methyl-1H-pyrazolo[3,4-b]quinoline derivatives: Molecular dynamics modeling

Paper deals with quantum chemical modeling of the optical absorption spectra of 6-fluoro, 7-trifluoromethyl, 6-cyano, 6-carboethoxy and 6-tert-butyl derivatives of 1-phenyl-3-methyl-1H-pyrazolo[3,4-b]quinoline. The calculations are performed by means of the semiempirical quantum chemical methods (AM1 or PM3) applied to the equilibrium molecular conformation in vacuo (T = 0 K) or molecular dynamic (MD) trajectories as obtained within fragmental or total MD simulations at T = 300 K. The results of these calculations are compared with the measured spectra of optical absorption. The quantum chemical analysis show that the dynamics of the methyl, trifluoromethyl, carboethoxy and tert-butyl groups practically does not influence the absorption spectra whereas the strongest their modifications are found to be related with dynamics of the aromatic group. The semiempirical method AM1 in combination with MD simulations gives for all dyes the best agreement between the calculated and measured spectral positions of absorption bands. In most cases the quantum chemical calculations describe properly the trends of their changes depending on the lateral substituent.     

The effect of substrate heating on the tunability of rf-sputtered Bi2O3-ZnO-Nb2O5 thin films

Reactively rf-sputtered Bi₂O₃-ZnO-Nb₂O₅ (BZN) thin films were prepared on Pt(111)/TiO₂/SiO₂/Si with substrate heating. The effects of substrate heating on the structures, morphologies, dielectric properties, and voltage-tunable dielectric properties of the films were investigated. With heating, the BZN thin films could be deposited in crystalline form as the cubic pyrochlore phase. The amounts of secondary phases, such as zinc niobate and bismuth niobate, depended on the substrate temperature. The more compounding of the BZN crystalline phase proceeded at deposition, the less formation of secondary phases and stoichiometric change occurred after post-annealing. Therefore, improvement of the dielectric constant and tunability of thin films by grain-size enlargement might be possible with proper substrate heating and post-annealing. The BZN thin films sputtered with a substrate temperature of 550 °C and annealed at 800 °C showed a maximum tunability of 26.5% at a dc bias field of 1000 kV/cm and measurement frequency of 1 MHz. PACS 81.15.Cd; 77.55.+f; 77.84.Dy; 81.40.Tv     

Experimental evidence of chiral crown ether complexation with aromatic amino acids

The complexation of L ‐ and D ‐enantiomers of phenylglycine, phenylalanine, and tryptophan with D ‐mannonaphto‐crown‐6‐ether in methanol solution was studied by NMR and isothermal titration calorimetry (ITC) at 298.15 K. The total heat effects attributed to the binding phenomena were measured in the range of 1.8 to 7.7 mJ, and the complexation was found stereo‐specific. The binding topologies were estimated basing on ¹H 2D‐ROESY experiments. The analysis of Job plots obtained from ¹H NMR‐monitored titrations proved the coexistence of 1:1 and 1:2 (crown ether:amino acids) complexes, which thermodynamic parameters, K_s, ΔG, ΔH°, and TΔS were determined with the aid of ITC. The 1:1 complexes were found enthalpically stabilized, generally by electrostatic interactions between the charged NH group of amino acid and crown ether macrocyclic moiety, while the binding of the second amino acid molecule was driven entropically due to solvatophobic effect. Strong enthalpy–entropy compensation points towards the uniform binding mode of all complexes studied. The mode of complex formation was found solvent dependent. For phenylalanine guest studied in various solvent systems, in contrast to the aqueous media, the noticeable chiral recognition is observed in methanol solution, and the complex stoichiometry (1:2 ether:Phe) differs from the 2:1 one, determined previously for the same host‐guest system in water (J. Thermal. Anal. Cal. 2006; 83: 575–578). Copyright © 2007 John Wiley & Sons, Ltd.     

RKKY ferromagnetism with Ising-like spin states in intercalated Fe(1/4)TaS2

We investigated the magnetic nature of Fe(1/4)TaS2 using x-ray absorption spectroscopy, photoemission spectroscopy, and first principles band calculations. The results show a large unquenched orbital magnetic moment (～1.0 μ(B)/Fe) at intercalated Fe sites, resulting in a gigantic magnetic anisotropy (H(A)?60 T). The magnetic coupling is well understood in terms of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, suggesting a novel RKKY ferromagnet with Ising-type spin states. We also found that this indirect exchange coupling between the neighboring Fe spins is ferromagnetic and maximized at the Fe-Fe distance of 2×2 superstructure.