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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…
The attempt to understand cuprate superconductors is complicated by the presence of multiple strong interactions. While many believe that antiferromagnetism is important for the superconductivity, there has been revived interest in the role…
Recent theory has demonstrated that the value of the electron-phonon coupling strength $\lambda$ can be extracted directly from the thermal attenuation (Debye-Waller factor) of Helium atom scattering reflectivity. This theory is here…
When either electron or hole doped at concentrations $x\sim 0.1$, the LaOFeAs family displays remarkably high temperature superconductivity with T$_c$ up to 55 K. In the most energetically stable $\vec Q_M = (\pi,\pi)$ antiferromagnetic…
We investigate the Fano-type line shape of the Ba mode of Y_{1-x}Ca_xBa_2Cu_3O_{6+y} films observed in Raman spectra with A_1g symmetry. The line shape is described with an extended Fano formula that allows us to obtain the bare phonon…
We report strong electron-phonon coupling in magic-angle twisted bilayer graphene (MA-TBG) obtained from atomistic description of the system including more than 10000 atoms in the moire supercell. Electronic structure, phonon spectrum, and…
Alkali-doped fullerides (A3C60 with A=K, Rb, Cs) show a surprising phase diagram, in which a high transition-temperature (Tc) s-wave superconducting state emerges next to a Mott insulating phase as a function of the lattice spacing. This is…
Linear response methods are applied to identify the increase in electron-phonon coupling in elemental yttrium that is responsible for its high superconducting critical temperature Tc, which reaches nearly 20 K at 115 GPa. While the…
The thermoelectric properties of a molecular junction model, appropriate for large molecules such as fullerenes, are studied within a non-equilibrium adiabatic approach in the linear regime at room temperature. A self-consistent calculation…
The pi electrons of isolated fullerene anions C60^{n-} (n betwen 1 and 6) are a quite unique finite system of electrons with an attractive interaction due to exchange of intramolecular phonons. This interaction may overwhelm Hund's rule and…
Assessing the effective relevance of multiband effects in the fullerides is of fundamental importance to understand the complex superconducting and transport properties of these compounds. In this paper we investigate in particular the role…
Electronic degrees of freedom and their coupling to lattice vibrations in semiconductors can be strongly modified by doping. Accordingly, the addition of surplus charge carriers to chirality-mixed carbon nanotube samples has previously been…
Developing a theory of high-temperature superconductivity in copper oxides is one of the outstanding problems in physics. It is a challenge that has defeated theoretical physicists for more than twenty years. Attempts to understand this…
Temperature and composition dependences of high-energy longitudinal optical (LO) phonons in YBa2Cu3O{6+x}, studied by inelastic neutron scattering measurements, provide clear evidence for temperature dependent spatial inhomogeneity of doped…
The polaron binding energy E_{p} in undoped parent cuprates has been determined to be about 1.0 eV from the unconventional oxygen-isotope effect on the antiferromagnetic ordering temperature. The deduced value of E_{p} is in quantitative…
The electron-phonon (e-ph) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge-density-waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph…
We study bipolaron formation and bipolaronic superconductivity on a square lattice, where electrons couple to both local Holstein phonons via on-site charge density and nonlocal bond Su-Schrieffer-Heeger phonons via modulation of hopping…
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…
Coherent ferrons, the quanta of polarization waves, can potentially be hybridized with many other quasiparticles for achieving novel control modalities in quantum communication, computing, and sensing. Here, we theoretically demonstrate a…
High temperature superconductivity in doped Mott insulators such as the cuprates contradicts the conventional wisdom that electron repulsion is detrimental to superconductivity. Because doped fullerene conductors are also strongly…