LiBC by polarized Raman spectroscopy: Evidence for lower crystal symmetry ?

The paper presents polarized Raman scattering study on a few-micron-size crystallite of LiBC with natural faces. The experiment on as grown sample has revealed a four lattice modes with frequencies at 1276 cm^-1, 830 cm^-1, 546 cm^-1 and 170 cm^-1, respectively. The number of observed Raman lines and their selection rules are incompatible with the assumed D6h symmetry. The modes at 1276 cm^-1 and 170 cm^-1 correspond to the expected Raman active modes. In contrast with the superconducting compound MgB2, the B-C bond stretching mode (at 1276 cm^-1) has rather small damping. The two "forbidden" modes (at 830 cm^-1 and 546 cm^-1) disappeared after subsequent thermal treatment.Comment: 4 pages, LaTeX, complementary experimental resul

Born Effective Charges and Infrared Response of LiBC

Calculations of the zone center optical mode frequencies (including LO-TO splitting), Born effective charges Z$^*_{\alpha\alpha}$ for each atom, dielectric constants $\epsilon_{0}$ and $\epsilon_{\infty}$, and the dielectric response in the infrared, using density functional linear response theory, are reported. Calculated Raman modes are in excellent agreement with experimental values (170 cm$^{-1}$ and 1170 cm$^{-1}$), while it will require better experimental data to clarify the infrared active mode frequencies. The Born effective charges Z$^*_{\alpha \alpha}$ (i) have surprisingly different values for B and C, and (ii) show considerable anisotropy. Relationships between the effective charges and LO-TO splitting are discussed, and the predicted reflectivity in the range 0 -- 1400 cm$^{-1}$ is presented. These results hold possible implications for Li removal in LiBC, and C substition for B in MgB$_2$.Comment: 6 pages, 3 figure

Electronic and optical properties of LiBC

LiBC, a semiconducting ternary borocarbide constituted of the lightest elements only, has been synthesized and characterized by x-ray powder diffraction, dielectric spectroscopy, and conductivity measurements. Utilizing an infrared microscope the phonon spectrum has been investigated in single crystals. The in-plane B-C stretching mode has been detected at 150 meV, noticeably higher than in AlB2, a non-superconducting isostructural analog of MgB2. It is this stretching mode, which reveals a strong electron-phonon coupling in MgB2, driving it into a superconducting state below 40 K, and is believed to mediate predicted high-temperature superconductivity in hole-doped LiBC [H. Rosner, A. Kitaigorodsky, and W. E. Pickett, Phys. Rev. Lett. 88, 127001 (2002)].Comment: 4 pages, 4 figure

New insights into early bronze age damascene technique north of the alps

Damascening, defined in this context as the inlay of one metal into a different metal base, is a rare decorative technique in the Early Bronze Age, known only from seven bronze artefacts found north of the Alps. This paper reports on the first thorough scientific examination of one such find, the axe from Thun-Renzenbühl grave no. 1. This interdisciplinary project involving several institutions in Germany and Switzerland investigated the axe by means of neutron radiographic imaging and X-ray microprobe methods, supported by microscopic examination. The result is an attempt to reconstruct the fabrication and decoration process and to reconsider the enigmatic question of the origins of the damascene technique north of the Alp

Detailed electronic structure studies on superconducting MgB2_2 and related compounds

In order to understand the unexpected superconducting behavior of MgB$_2$ compound we have made electronic structure calculations for MgB$_2$ and closely related systems. Our calculated Debye temperature from the elastic properties indicate that the average phonon frequency is very large in MgB$_2$ compared with other superconducting intermetallics and the exceptionally high $T_c$ in this material can be explained through BCS mechanism only if phonon softening occurs or the phonon modes are highly anisotropic. We identified a doubly-degenerate quasi-two dimensional key-energy band in the vicinity of $E_{F}$ along $\Gamma$-A direction of BZ which play an important role in deciding the superconducting behavior of this material. Based on this result, we have searched for similar kinds of electronic feature in a series of isoelectronic compounds such as BeB$_2$, CaB$_2$, SrB$_2$, LiBC and MgB$_2$C$_2$ and found that MgB$_2$C$_2$ is one potential material from the superconductivity point of view. There are contradictory experimental results regarding the anisotropy in the elastic properties of MgB$_2$ ranging from isotropic, moderately anisotropic to highly anisotropic. In order to settle this issue we have calculated the single crystal elastic constants for MgB$_2$ by the accurate full-potential method and derived the directional dependent linear compressibility, Young's modulus, shear modulus and relevant elastic properties. We have observed large anisotropy in the elastic properties. Our calculated polarized optical dielectric tensor shows highly anisotropic behavior even though it possesses isotropic transport property. MgB$_2$ possesses a mixed bonding character and this has been verified from density of states, charge density and crystal orbital Hamiltonian population analyses

Extreme Electron-Phonon Coupling in Boron-based Layered Superconductors

The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperature superconductivity of such systems results from extremely strong coupling to only ~2% of the phonon modes. Novel characteristics of E_2g branches include (1) ``mode lambda'' values of 25 and greater compared to a mean of $\sim 0.4$ for other modes, (2) a precipitous Kohn anomaly, and (3) E_2g phonon linewidths within a factor of ~2 of the frequency itself, indicating impending breakdown of linear electron-phonon theory. This behavior in borne out by recent inelastic x-ray scattering studies of MgB2 by Shukla et al.Comment: 4 two-column pages, 4 figures. Equations simplified. Figure 4 changed. Comparison with new data include

Short Naphthalene Organophosphonate Linkers to Microporous Frameworks

We report two novel 3D porous metal-organophosphonate metal organic frameworks (MOFs) [{Cu(4, 4’-bpy)0.5(1,4-NDPA-H2)] (1), [{Cu2(4,4’-bpy)0.5}(1,4-NDPA)] (2) and a non-porous [{Cu(4, 4’-bpy)}(2,6-NDPA-H2)] (3) constructed using the structurally rigid 1,4-naphthalenediphosphonic acid (1,4-NDPA-H4) and 2,6-naphthalenediphosphonic acid (2,6-NDPA-H4). 1 and 2 exhibit high surface areas obtained using the structurally rigid and short aromatic organophosphonate linkers with copper. The compound 1 has been further analyzed by TGA and Quantum Design PPMS vibrating sample magnetometer

Magnetic correlations in the triangular antiferromagnet FeGa2 S4

The crystal structure and magnetic correlations in triangular antiferromagnet FeGa2S4 are studied by x-ray diffraction, magnetic susceptibility, neutron diffraction, and neutron inelastic scattering. We report significant mixing at the cation sites and disentangle magnetic properties dominated by major and minor magnetic sites. The magnetic short-range correlations at 0.77Å-1 correspond to the major sites and being static at base temperature they evolve into dynamic correlations around 30-50 K. The minor sites contribute to the magnetic peak at 0.6Å-1, which vanishes at 5.5 K. Our analytical studies of triangular lattice models with bilinear and biquadratic terms provide the ratios between exchanges for the proposed ordering vectors. The modeling of the inelastic neutron spectrum within linear spin-wave theory results in the set of exchange couplings J1=1.7,J2=0.9,J3=0.8meV for the bilinear Heisenberg Hamiltonian. However, not all features of the excitation spectrum are explained with this model.Fil: Guratinder, K.. Universidad de Ginebra; SuizaFil: Schmidt, M.. Max-Planck-Institut für Chemische Physik fester Stoffe; AlemaniaFil: Walker, H. C.. Rutherford Appleton Laboratory; Reino UnidoFil: Bewley, R.. Rutherford Appleton Laboratory; Reino UnidoFil: Wörle, M.. Laboratorium für Anorganische Chemie; SuizaFil: Cabra, Daniel Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; ArgentinaFil: Osorio, Santiago Antonio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche; ArgentinaFil: Villalba, Maria Luisa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; ArgentinaFil: Madsen, A. K.. Paul Scherrer Institute; SuizaFil: Keller, L.. Paul Scherrer Institute; SuizaFil: Wildes, A.. Institut Laue Langevin; FranciaFil: Puphal, P.. Institut Laue Langevin; FranciaFil: Cervellino, A.. Institut Laue Langevin; FranciaFil: Rüegg, Ch.. Universidad de Ginebra; SuizaFil: Zaharko, O.. Universidad de Ginebra; Suiz

Water-Soluble Fullerene (C60) Derivatives as Nonviral Gene-Delivery Vectors

A new class of water-soluble C60 transfecting agents has been prepared using Hirsch-Bingel chemistry and assessed for their ability to act as gene-delivery vectors in vitro. In an effort to elucidate the relationship between the hydrophobicity of the fullerene core, the hydrophilicity of the water-solubilizing groups, and the overall charge state of the C60 vectors in gene delivery and expression, several different C60 derivatives were synthesized to yield either positively charged, negatively charged, or neutral chemical functionalities under physiological conditions. These fullerene derivatives were then tested for their ability to transfect cells grown in culture with DNA carrying the green fluorescent protein (GFP) reporter gene. Statistically significant expression of GFP was observed for all forms of the C60 derivatives when used as DNA vectors and compared to the ability of naked DNA alone to transfect cells. However, efficient in vitro transfection was only achieved with the two positively charged C60 derivatives, namely, an octa-amino derivatized C60 and a dodeca-amino derivatized C60 vector. All C60 vectors showed an increase in toxicity in a dose-dependent manner. Increased levels of cellular toxicity were observed for positively charged C60 vectors relative to the negatively charged and neutral vectors. Structural analyses using dynamic light scattering and optical microscopy offered further insights into possible correlations between the various derivatized C60 compounds, the C60 vector/DNA complexes, their physical attributes (aggregation, charge) and their transfection efficiencies. Recently, similar Gd@C60-based compounds have demonstrated potential as advanced contrast agents for magnetic resonance imaging (MRI). Thus, the successful demonstration of intracellular DNA uptake, intracellular transport, and gene expression from DNA using C60 vectors suggests the possibility of developing analogous Gd@C60-based vectors to serve simultaneously as both therapeutic and diagnostic agents