Electronic Structure of Superconducting Ba6c60

We report the results of first-principles electronic-structure calculations for superconducting Ba6C60. Unlike the A3C60 superconductors, this new compound shows strong Ba-C hybridization in the valence and conduction regions, mixed covalent/ionic bonding character, partial charge transfer, and insulating zero-gap band structure.Comment: 11 pages + 4 figures (1 appended, others on request), LaTeX with REVTE

Raman Scattering Study of Ba-doped C60 with t1g States

Raman spectra are reported for Ba doped fullerides, BaxC60(x=3,4,and 6). The lowest frequency Hg modes split into five components for Ba4C60 and Ba6C60 even at room temperature, allowing us a quantitative analysis based on the electron-phonon couping theory. For the superconducting Ba4C60, the density of states at the Fermi energy was derived as 7 eV-1, while the total value of electron-phonon coupling \lambda was found to be 1.0, which is comparable to that of K3C60. The tangential Ag(2) mode, which is known as a sensitive probe for the degree of charge transfer on C60 molecule, shows a remarkable shift depending on the Ba concentration, being roughly consistent with the full charge transfer from Ba to C60. An effect of hybridization between Ba and C60 \pi orbitals is also discussed.Comment: 15 pages, 6 figures submitted to Phys. Rev. B (December 1,1998

Synthesis of CdS and CdSe nanocrystallites using a novel single-molecule precursors approach

The synthesis of CdS and CdSe nanocrystallites using the thermolysis of several dithioor diselenocarbamato complexes of cadmium in trioctylphosphine oxide (TOPO) is reported. The nanodispersed materials obtained show quantum size effects in their optical spectra and exhibit near band-edge luminescence. The influence of experimental parameters on the properties of the nanocrystallites is discussed. HRTEM images of these materials show well-defined, crystalline nanosized particles. Standard size fractionation procedures can be performed in order to narrow the size dispersion of the samples. The TOPO-capped CdS and CdSe nanocrystallites and simple organic bridging ligands, such as 2,2¢-bipyrimidine, are used as the starting materials for the preparation of novel nanocomposites. The optical properties shown by these new nanocomposites are compared with those of the starting nanodispersed materials

Superconductivity in Fullerides

Experimental studies of superconductivity properties of fullerides are briefly reviewed. Theoretical calculations of the electron-phonon coupling, in particular for the intramolecular phonons, are discussed extensively. The calculations are compared with coupling constants deduced from a number of different experimental techniques. It is discussed why the A_3 C_60 are not Mott-Hubbard insulators, in spite of the large Coulomb interaction. Estimates of the Coulomb pseudopotential $\mu^*$, describing the effect of the Coulomb repulsion on the superconductivity, as well as possible electronic mechanisms for the superconductivity are reviewed. The calculation of various properties within the Migdal-Eliashberg theory and attempts to go beyond this theory are described.Comment: 33 pages, latex2e, revtex using rmp style, 15 figures, submitted to Review of Modern Physics, more information at http://radix2.mpi-stuttgart.mpg.de/fullerene/fullerene.htm

Heteroepitaxy of La2O3La_2O_3 and La2−xYxO3La_{2-x}Y_xO_3 on GaAs (111)A by Atomic Layer Deposition: Achieving Low Interface Trap Density

GaAs metal–oxide–semiconductor devices historically suffer from Fermi-level pinning, which is mainly due to the high trap density of states at the oxide/GaAs interface. In this work, we present a new way of passivating the interface trap states by growing an epitaxial layer of high-k dielectric oxide, $La_{2–x}Y_xO_3$, on GaAs(111)A. High-quality epitaxial $La_{2–x}Y_xO_3$ thin films are achieved by an ex situ atomic layer deposition (ALD) process, and GaAs MOS capacitors made from this epitaxial structure show very good interface quality with small frequency dispersion and low interface trap densities $(D_{it})$. In particular, the $La_2O_3$/GaAs interface, which has a lattice mismatch of only 0.04%, shows very low $D_{it}$ in the GaAs bandgap, below $3 × 10^{11} cm^{–2} eV^{–1}$ near the conduction band edge. The $La_2O_3$/GaAs capacitors also show the lowest frequency dispersion of any dielectric on GaAs. This is the first achievement of such low trap densities for oxides on GaAs.Chemistry and Chemical Biolog