Related papers: Electron-vibration coupling constants in positivel…

We propose a theory for how the weak phonon-mediated interaction ($J_{\rm A}\!=\!1\!\sim\!4$meV) wins over the prohibitive Coulomb repulsion ($U\!=\!30\!\sim\!60$meV) and leads to a superconductor in magic-angle twisted bilayer graphene…

Fullerene-based materials including C60 and doped C60 have previously been proposed as anodes for lithium ion batteries. It was also shown earlier that n- and p-doping of small molecules can substantially increase voltages and specific…

We investigate the steady-state electronic transport through a suspended dimer molecule coupled to leads. When strongly coupled to a vibrational mode, the electron transport is enhanced at the phonon resonant frequency and higher-order…

Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…

Our previous studies [J. Phys. B 53, 125101 (2020); Euro. Phys. J. D 74, 191 (2020)] have predicted that the atom-fullerene hybrid photoionization properties for X = Cl, Br and I endohedrally confined in C60 are different before and after…

We study theoretically the transport properties of a molecular two level system with large electron-vibron coupling in the Coulomb blockade regime. We show that when the electron-vibron coupling induces polaron states, the current-voltage…

Superconducting transition temperature $T_C$ of some of the cubic $\beta$-phase Mo$_{1-x}$Re$_x$ alloys with x > 0.10 is an order of magnitude higher than that in the elements Mo and Re. We investigate this rather enigmatic issue of the…

Besides significant electronic correlations, high-temperature superconductors also show a strong coupling of electrons to a number of lattice modes. Combined with the experimental detection of electronic inhomogeneities and ordering…

Motivated by the recent experimental discovery of strongly surface-plane-dependent superconductivity at surfaces of KTaO$_3$ single crystals, we calculate the electron-phonon coupling strength, $\lambda$, of doped KTaO$_3$ along the…

Electron-phonon coupling in atoms and molecules adsorbed at metal surfaces gives rise to finite vibrational linewidths in infrared or electron energy loss spectra. When it is the dominant contribution to the vibrational lifetime, it…

The mechanisms for strong electron-phonon coupling predicted for hydrogen-rich alloys with high superconducting critical temperature ($T_c$) are examined within the Migdal-Eliashberg theory. Analysis of the functional derivative of $T_c$…

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 measure the electron spin resonance spectrum of the endohedral fullerene molecule $^{15}\mathrm{N@C}_{60}$ at pressures ranging from atmospheric pressure to 0.25 GPa, and find that the hyperfine coupling increases linearly with pressure.…

Superconductivity of boron-doped diamond, reported recently at T_c=4 K, is investigated exploiting its electronic and vibrational analogies to MgB2. The deformation potential of the hole states arising from the C-C bond stretch mode is 60%…

We investigate chemical bond formation and conductance in a molecular C60-junction under finite bias voltage using first-principles calculations based on density functional theory and nonequilibrium Green's functions (DFT-NEGF). At the…

Fullerenes are known to be polarizable due to the strained carbon-carbon bonds and high surface curvature. Electronic polarization of fullerenes is of steady practical importance, since it leads to non-additive interactions and, therefore,…

We consider the formation and stability of the vibronic polaron arising in a degenerate or nearly degenerate electronic system coupled to an appropriate vibrational mode. We define the electron-phonon coupling as a mixing of the electronic…

Conventional and unconventional superconductivity, respectively, arise from attractive (electron-phonon) and repulsive (many-body Coulomb) interactions with fixed-sign and sign-reversal pairing symmetries. Although heavy-fermions, cuprates,…

We propose a new route to achieve the superconducting state in Boron-rich solids, the hole doping of B$_{12}$ icosahedra. For this purpose we consider a prototype metallic phase of B$_{13}$C$_2$. We show that in this compound the Boron…

The h_u hole spectral intensity for C60 -> C60+ molecular photoemission is calculated at finite temperature by a parameter-free Lanczos diagonalization of the electron-vibration Hamiltonian, including the full 8 H_g, 6 G_g, and 2 A_g mode…