Related papers: Electron-Phonon Interactions in C$_{28}$-derived M…
K$_3$-picene is a superconducting molecular crystal with critical temperature T$_c=7$K or 18K, depending on preparation conditions. Using density functional theory we show that electron-phonon interaction accounts for T$_c ~ 3-8$ K. The…
We investigate the competition between the electron-vibron interaction (interaction with the Jahn-Teller phonons) and the Coulomb repulsion in a system with local pairing of electrons on the triply degenerate lowest unoccupied molecular…
Cs$_3$C$_{60}$ in the A15 structure is an antiferromagnet at ambient pressure in contrast with other superconducting trivalent fullerides. Superconductivity is recovered under pressure and reaches the highest critical temperature of the…
The primary mechanism governing the emergence of near-room-temperature superconductivity in superhydrides is widely accepted to be the electron-phonon interaction. If so, the temperature dependent resistance, R(T), in these materials should…
We present a comprehensive first-principles investigation of the structural, electronic, vibrational, and superconducting properties of halogen-functionalized Mo2YX2 (Y = C, N; X = F, Cl, Br, I) MXene monolayers. Density functional theory…
The appearance of certain spectral features in one-dimensional (1D) cuprate materials has been attributed to a strong, extended attractive coupling between electrons. Here, using time-dependent density matrix renormalization group methods…
Metal-fullerene compounds are characterized by significant electron transfer to the fullerene cage, giving rise to an electric dipole moment. We use the method of electrostatic beam deflection to verify whether such reactions take place…
Coupled two-dimensional electron-hole bilayers provide a unique platform to study strongly correlated Bose-Fermi mixtures in condensed matter. Electrons and holes in spatially separated layers can bind to form interlayer excitons, composite…
We show, with both experiment and theory, that adsorption of $CO_2$ is sensitive to charge on a capturing model carbonaceous surface. In the experiment we dope superfluid helium droplets with $C_{60}$ and $CO_2$ and expose them to ionising…
We consider how electron-phonon interaction influences the insulator-metal transitions driven by doping in the strongly correlated system. Using the polaronic version of the generalized tight-binding method, we investigate a multiband…
A systematic first-principles study within density functional theory on the geometrical structures and electronic properties of unconventional fullerene C64 and its derivatives C64X4 (X = H; F;Cl;Br) has been performed. By searching through…
Based on ab initi and density-functional theory calculations, an empirical potential is proposed to model the interaction between a fullerene molecule and many sodium atoms. This model predicts homogeneous coverage of C_60 below 8 Na atoms,…
We show that thermal effects play a relevant role in the determination of the electron-phonon couplings based on the intensity of the phonon-shakeup peaks in photoemission spectra. In particular, we re-consider the determination of the…
One of the salient features of graphene is the very high carrier mobility that implies tremendous potential for use in electronic devices. Unfortunately, transport measurements find the expected high mobility only in freely suspended…
It is widely accepted that phonon-mediated high-temperature superconductivity is impossible at ambient pressure, because of the very large effective masses of polarons/bipolarons at strong electron-phonon coupling. Here we challenge this…
The superposition of flexoelectronic doping and topological phonons give rise to topological electronic magnetism of phonon in an inhomogeneously strained Si in the bilayer structure with metal. In case of ferromagnetic metal and Si bilayer…
We consider a class of strongly correlated Fermi systems that exhibit an interaction-induced flat band pinned to the Fermi surface, and generalize the Landau strategy to accommodate a flat band and apply the more comprehensive theory to…
Alkali-doped fullerides A3C60 (A=K, Rb, Cs) are surprising materials where conventional phonon-mediated superconductivity and unconventional Mott physics meet, leading to a remarkable phase diagram as a function of the volume per C60…
We outline a procedure for obtaining the electron-phonon spectral density by inversion of optical conductivity data, a process very similar in spirit to the McMillan-Rowell inversion of tunelling data. We assume both electron-impurity…
By means of ab initio calculations within the density functional theory, we have found that B80 fullerenes can condense to form stable face-centered-cubic fcc solids. It is shown that when forming a crystal, B80 cages are geometrically…