Related papers: Electronic Structures in C60-Polymers (review)
The pressure-induced structural transition in fcc C$_{60}$ fullerene by shock compression and rapid quenching is investigated by a semi-empirical tight-binding molecular dynamics simulation, adopting a constant-pressure scheme and a method…
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…
C60 fullerides are uniquely flexible molecular materials that exhibit a rich variety of behavior, including superconductivity and magnetism in bulk compounds, novel electronic and orientational phases in thin films, and quantum transport in…
We apply the recently developed slave fermion approach to study the doped Mott insulator in the one-band Hubbard and Hubbard-Heisenberg models. Our results produce several subtle features in the electron spectra and confirm the key role of…
In a recent paper (J.H. Schon, Ch. Kloc, R.C. Haddon and B. Batlogg, Nature 408 (2000) 549) a large increase in the superconducting critical temperature was observed in C60 doped with holes by application of a high electric field. We…
We model a single layer of heavily electron-doped FeSe by spin-1/2 moments over a square lattice of iron atoms that include the 3d xz and 3d yz orbitals, at strong on-site Coulomb repulsion. Above half filling, we find emergent hole bands…
We study the effect of Coulomb interaction between two oppositely doped low-dimensional tJ model systems. We exactly show that, in the one-dimensional case, an arbitrarily weak interaction leads to the formation of charge neutral…
A material which is an insulator entirely because of interaction effects is called a correlated insulator. Examples are trans-polyacetylene and the cuprate high temperature superconductors. Whereas doping of a band insulator results in a…
We study the influence of electron-electron interactions on the electronic properties of disordered materials. In particular, we consider the insulating side of a metal-insulator transition where screening breaks down and the…
Using valence band photoemission we have demonstrated the presence of a pseudogap in the near Fermi level electronic spectrum of some of the mixed phase compositions of Sm$_{1-x}$Ca$_x$MnO$_3$ system. The pseudogap was found to grow in size…
The aim of the present study is to clarify the charge composition of fullerite C60 electron-beam dispersion (EBD) products and investigate the influence of fullerene ions and electrons on the structure of the deposited coatings by applying…
The real-space localized hole pair is constructed in the Cu-O plane of the hole-doped cuprate superconductors. We prove analytically and numerically that two electrons, due to the nearest-neighbor Coulomb repulsive confinement effect, can…
Understanding the similarities and differences between adding or removing electrons from a charge-transfer insulator may provide insights about the origin of the electron-hole asymmetry found in cuprates. Here we study with cellular…
Electron interactions are pivotal for defining the electronic structure of quantum materials. In particular, the strong electron Coulomb repulsion is considered the keystone for describing the emergence of exotic and/or ordered phases of…
Fullerene peapods, that is carbon nanotubes encapsulating fullerene molecules, can offer enhanced functionality with respect to empty nanotubes. However, the present incomplete understanding of how a nanotube is affected by entrapped…
We show that the electronic and atomic structure of carbon nanotubes undergo dramatic changes with hydrogen chemisorption from first principle calculations. Upon uniform exohydrogenation at half coverage, the cross sections of zigzag…
We investigate the role of long-range Coulomb interactions in $M$-valley moir\'es using the self-consistent Hartree-Fock approximation. This platform was recently proposed [Nature 643, 376 (2025) and arXiv:2411.18828 (2024)] as a new class…
Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as…
The electron-electron interactions effects on the shape of the Fermi surface of doped graphene are investigated. The actual discrete nature of the lattice is fully taken into account. A $\pi$-band tight-binding model, with nearest-neighbor…
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…