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

Magnetic Properties of Undoped C60C_{60}

The Heisenberg antiferromagnet, which arises from the large $U$ Hubbard model, is investigated on the $C_{60}$ molecule and other fullerenes. The connectivity of $C_{60}$ leads to an exotic classical ground state with nontrivial topology. We argue that there is no phase transition in the Hubbard model as a function of $U/t$, and thus the large $U$ solution is relevant for the physical case of intermediate coupling. The system undergoes a first order metamagnetic phase transition. We also consider the S=1/2 case using perturbation theory. Experimental tests are suggested.Comment: 12 pages, 3 figures (included

Electric-Field-Induced Mott Insulating States in Organic Field-Effect Transistors

We consider the possibility that the electrons injected into organic field-effect transistors are strongly correlated. A single layer of acenes can be modelled by a Hubbard Hamiltonian similar to that used for the kappa-(BEDT-TTF)(2)X family of organic superconductors. The injected electrons do not necessarily undergo a transition to a Mott insulator state as they would in bulk crystals when the system is half-filled. We calculate the fillings needed for obtaining insulating states in the framework of the slave-boson theory and in the limit of large Hubbard repulsion, U. We also suggest that these Mott states are unstable above some critical interlayer coupling or long-range Coulomb interaction.Comment: 9 pages, 7 figure

Preparation and Properties of Nanocomposites from Pristine and Modified SWCNTs of Comparable Average Aspect Ratios

Low color, flexible, space-durable polyimide films with inherent and robust electrical conductivity to dissipate electrostatic charge (ESC) have been under investigation as part of a materials development activity for future NASA space missions. The use of single-walled carbon nanotubes (SWCNTs) is one means to achieving this goal. Even though the concentration of SWCNTs needed to achieve ESC dissipation is typically low, it is dependent upon purity, size, dispersion, and functionalization. In this study, SWCNTs prepared by the electric arc discharge method were used to synthesize nanocomposites using the LaRC(TradeMark) CP2 backbone as the matrix. Pristine and functionalized SWCNTs were mixed with an alkoxysilane terminated amide acid of LaRC(TradeMark) CP2 and the soluble imide form of the polymer and the resultant nanocomposites evaluated for mechanical, thermal, and electrical properties. Due to the preparative conditions for the pristine and functionalized SWCNTs, the average aspect ratio for both was comparable. This permitted the assessment of SWCNT functionalization with respect to various interactions (e.g. van der Waals, hydrogen bonding, covalent bond formation, etc.) with the matrix and the macroscopic effects upon nanocomposite properties. The results of this study are described herein

Single domain transport measurements of C60 films

Thin films of potassium doped C60, an organic semiconductor, have been grown on silicon. The films were grown in ultra-high vacuum by thermal evaporation of C60 onto oxide-terminated silicon as well as reconstructed Si(111). The substrate termination had a drastic influence on the C60 growth mode which is directly reflected in the electrical properties of the films. Measured on the single domain length scale, these films revealed resistivities comparable to bulk single crystals. In situ electrical transport properties were correlated to the morphology of the film determined by scanning tunneling microscopy. The observed excess conductivity above the superconducting transition can be attributed to two-dimensional fluctuations.Comment: 4 pages, 4 figure

In-Situ Infrared Transmission Study of Rb- and K-Doped Fullerenes

We have measured the four IR active $C_{60}$ molecular vibrations in $M_{x}C_{60}$ $(M = K, Rb)$ as a function of doping $x$. We observe discontinuous changes in the vibrational spectra showing four distinct phases (presumably $x = 0, 3, 4$, and 6). The $1427cm^{-1}$ and $576cm^{-1}$ modes show the largest changes shifting downward in frequency in four steps as the doping increases. Several new very weak modes are visible in the $x=6$ phase and are possibly Raman modes becoming weakly optically active. We present quantitative fits of the data and calculate the electron-phonon coupling of the $1427cm^{-1}$ IR mode.Comment: 3 pages, Figure 1 included, 3 more figures available by request. REVTEX v3.0 IRC60DO

Important role of alkali atoms in A4C60

We show that hopping via the alkali atoms plays an important role for the t1u band of A4C60 (A=K, Rb), in strong contrast to A3C60. Thus the t1u band is broadened by more than 40 % by the presence of the alkali atoms. The difference between A4C60 and A3C60 is in particular due to the less symmetric location of the alkali atoms in A4C60.Comment: 5 pages, revtex, 2 figures, submitted to Phys. Rev. B more information at http://www.mpi-stuttgart.mpg.de/dokumente/andersen/fullerene

Preparation and Properties of Nanocomposites Prepared From Shortened, Functionalized Single-Walled Carbon Nanotubes

As part of a continuing materials development activity, low color space environmentally stable polymeric materials that possess sufficient electrical conductivity for electrostatic charge dissipation (ESD) have been investigated. One method of incorporating sufficient electrical conductivity for ESD without detrimental effects on other polymer properties of interest (i.e., optical and thermo-optical) is through the incorporation of single-walled carbon nanotubes (SWNTs). However, SWNTs are difficult to fully disperse in the polymer matrix. One means of improving dispersion is by shortening and functionalizing SWNTs. While this improves dispersion, other properties (i.e., electrical) of the SWNTs can be affected which can in turn alter the final nanocomposite properties. Additionally, functionalization of the polymer matrix can also influence nanocomposite properties obtained from shortened, functionalized SWNTs. The preparation and characterization of nanocomposites fabricated from a polyimide, both functionalized and unfunctionalized, and shortened, functionalized SWNTs will be presented

Dynamics of a Quantum Control-Not Gate for an Ensemble of Four-Spin Molecules at Room Temperature

We investigate numerically a single-pulse implementation of a quantum Control-Not (CN) gate for an ensemble of Ising spin systems at room temperature. For an ensemble of four-spin ``molecules'' we simulate the time-evolution of the density matrix, for both digital and superpositional initial conditions. Our numerical calculations confirm the feasibility of implementation of quantum CN gate in this system at finite temperature, using electromagnetic $\pi$-pulse.Comment: 7 pages 3 figure