相关论文: Polaron excitations in doped C60: Effects of disor…
Effects on C$_{60}$ by thermal fluctuations of phonons, misalignment of C$_{60}$ molecules in a crystal, and other intercalated impurities (remaining C$_{70}$, oxygens, and so on) are simulated by disorder potentials. The…
We review the recent theoretical treatment of fullerenes as pi-conjugated systems. Polaronic properties due to the Jahn-Teller type effects are mainly discussed. (1) A Su-Schrieffer-Heeger type electron-phonon model is applied to…
Band structures of C60-polymers are studied changing conjugation conditions and the electron number. We use a Su-Schrieffer-Heeger type semiempirical model. In the neutral C60-polymer, electronic structures change among direct-gap insulator…
We investigate the possibility of doping C60 crystals by applying a strong electric field. For an accurate description of a C60 field-effect device we introduce a multipole expansion of the field, the response of the C60 molecules, and the…
Molecular exciton effects in the neutral and maximally doped C60 (C70) are considered using a tight binding model with long-range Coulomb interactions and bond disorder. By comparing calculated and observed optical spectra, we conclude that…
Molecular exciton effects in the neutral and maximally doped C$_{60}$ (C$_{70}$) are considered using a tight binding model with long-range Coulomb interactions and bond disorder. By comparing calculated and observed optical spectra, we…
We extend the Su-Schrieffer-Heeger model of polyacetylene to C_{60} and C_{70} molecules, and solve numerically. The calculations of the undoped systems agree well with the known results. When the system (C_{60} or C_{70}) is doped with one…
The proposal of using the field-effect for doping organic crystals has raised enormous interest. To assess the feasibility of such an approach, we investigate the effect of a strong electric field on the electronic structure of C60…
We derive a model for the highest occupied molecular orbital band of a C60 crystal which includes on-site electron-electron interactions. The form of the interactions are based on the icosahedral symmetry of the C60 molecule together with a…
The effects of doping on the spectral properties of low doped systems are investigated by means of Coherent Potential Approximation to describe the distributed disorder induced by the impurities and Phonon-Phonon Non-Crossing Approximation…
High-resolution mass spectra of helium droplets doped with C$_{60}$ and formic acid (FA) are ionized by electrons. Positive ion mass spectra reveal cluster ions [(C$_{60}$)$_p$FA$_n$]$^+$ together with their hydrogenated and dehydrogenated…
Recent experiments have shown that C60 can be positively field-doped. In that state, fullerene exhibits a higher resistivity and a higher superconducting temperature than the corresponding negatively doped state. A strong intramolecular…
In our recent paper we presented empirical evidences suggesting that electrons in cuprate superconductors are strongly coupled to unscreened c-axis polar phonons. In the overdoped regime the c-axis metallizes and we present here simple…
Comparison of periodic B dopants with a random alloy of substitional boron in diamond is carried out using several supercells and the coherent potential approximation (CPA) for the random alloy case. The main peak in the B local density of…
We solve the disordered Holstein model in three dimensions considering the phonon variables to be classical. After mapping out the phases of the `clean' strong coupling problem, we focus on the effect of disorder at strong electron-phonon…
The behavior of spin diffusion in doped semiconductors is shown to be qualitatively different than in undoped (intrinsic) ones. Whereas a spin packet in an intrinsic semiconductor must be a multiple-band disturbance, involving inhomogeneous…
The ground state and finite temperature properties of polarons are studied considering a two-site and a four-site Holstein model by exact diagonalization of the Hamiltonian. The kinetic energy, Drude weight, correlation functions involving…
We consider superconductivity in boron (B) doped diamond using a simplified model for the valence band of diamond. We treat the effects of substitutional disorder of B ions by the coherent potential approximation (CPA) and those of the…
Superconductivity in the new polymerized C60 fullerite clathrate doped with simple metals was investigated through density functional theory methods. The phonon dispersion curves were systematically computed for the clathrate structures…
We report results of a Monte Carlo study of doped, diluted magnetic semiconductors in the low carrier density (insulating) regime. We find that the system undergoes a transition from a paramagnet at high temperatures to a ferromagnet at low…