Related papers: Electronic Structures in C60-Polymers (review)
Band gap energy of an organic molecule can be reduced by intermolecular interaction enhancement, and thus, certain polycyclic aromatic hydrocarbons (PAHs), which are insulators with wide band gaps, are expected to undergo insulator-metal…
Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structural and dynamical properties of polymer electrolytes close…
We present {\it ab initio} density-functional calculations of molecular solids formed from C$_{28}$-derived closed-shell fullerenes. Solid C$_{28}$H$_4$ is found to bind weakly and exhibits many of the electronic structure features of solid…
The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the…
Motivated by recent experiments of carrier-doped C$_{60}$ in a field-effect transistor (FET), effects of spatial single particle potential variations on Mott-Hubbard (MH) insulators are studied theoretically. It is shown that the presence…
For a general class of conducting polymers with arbitrary large unit cell and different on-site Coulomb repulsion values on different type of sites, I demonstrate in exact terms the emergence possibility of an upper, interaction created…
We calculate the electronic properties of the $t$-$J$ model on a $C_{60}$ molecule using the density-matrix renormalization group and show that Hund's first rule is violated and that for an average of three added electron per molecule, an…
A heavy-fermion paramagnet UTe$_2$ has been a strong candidate for a spin-triplet superconductor. Experiments on UTe$_2$ under pressure have been vigorously conducted, and rich phase diagrams have been suggested. Multiple superconducting…
Spatially separated electron systems remain strongly coupled by electron-electron interactions even when they cannot exchange particles, provided that the layer separation d is comparable to a characteristic distance l between charge…
High temperature superconductivity was achieved by introducing holes in a parent compound consisting of copper oxide layers separated by spacer layers. It is possible to dope some of the parent compounds with electrons, and their physical…
To elucidate the pressure evolution of the electronic structure in an antiferromagnetic dimer-Mott (DM) insulator ${\beta}^{\prime}$-(BEDT-TTF)$_2$ICl$_2$, which exhibits superconductivity at 14.2 K under 8 GPa, we measured the polarized…
The calculations of the charge distribution in C$_{60}$-based FET structure are presented. A simple model is proposed to describe the distribution of the injected electrons or holes between two-dimensional layers. The calculations show that…
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 develop a first-principles theoretical approach to doping in field-effect devices. The method allows for calculation of the electronic structure as well as complete structural relaxation in field-effect configuration using…
Using the self-consistent Hartree-Fock approximation, we study the compressibility instability of the interacting electrons in bilayer graphene. The chemical potential and the compressibility of the electrons can be significantly altered by…
Photo-doping of Mott insulators or correlated metals can create an unusual metallic state which simultaneously hosts hole-like and electron-like particles. We study the dynamics of this state up to long times, as it passes its kinetic…
When the excitation of carriers in real space is focused down to the nanometer scale, the carrier system can no longer be viewed as homogeneous and ultrafast transport of the excited carrier wave packets occurs. In state-of-the-art…
Two-dimensional (2D) metals can host gapless plasmonic excitations, which strongly couple to electrons and thus may significantly affect superconductivity in layered materials. To investigate the dynamical interplay of the electron-electron…
We reveal that the periodic radius modulation peculiar to one-dimensional (1D) peanut-shaped fullerene (C$_{60}$) polymers exerts a strong influence on their low-frequency phonon states and their interactions with mobile electrons. The…
We investigate the strong correlation effect in the spinless electron-hole two-band Hubbard model using the dynamical mean-field theory. At half filling, both the renormalization factor $Z$ and the number of conduction electrons (valence…