Related papers: Doping Effects and Electronic States in C60-Polyme…
A model study of the singlet excitons in the C60 molecule with emphasis on the Coulomb interaction between excited electron and hole leads to a physical understanding of the interaction effects on the absorption spectra and to a new…
Here we report results of a density-matrix-renormalization-group (DMRG) calculation of the charge, spin, and pairing properties of a two-leg CuO Hubbard ladder. The outer oxygen atoms as well as the rung and leg oxygen atoms are included…
Molecular exciton effects in the neutral and maximally doped C60 (C70) are considered using a tight binding model with long-range Coulomb interactions and bond disorder. By comparing calculated and observed optical spectra, we conclude that…
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…
We report the results of \textit{ab initio} simulations of the electronic properties of a chain of C$_{60}$ molecules encapsulated in a boron nitride nanotube - so called BN-nanopeapod. It is demonstrated that this structure can be…
Conjugated polymers are increasingly used as organic mixed ionic-electronic conductors in electrochemical devices for neuromorphic computing, bioelectronics and energy harvesting. The design of efficient applications relies on high…
It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high $T_{\rm c}$ cuprates. The doping effect, including the electron-hole doping…
Conjugated polymers can be reversibly doped by electrochemical means. This doping introduces new sub-bandgap optical absorption bands in the polymer while decreasing the bandgap absorption. To study this behavior, we have prepared an…
SnSe monolayer with orthorhombic Pnma GeS structure is an important two-dimensional (2D) indirect band gap material at room temperature. Based on first-principles density functional theory calculations, we present systematic studies on the…
Ordinary doping by electrons (holes) generally means that the Fermi level shifts towards the conduction band (valence band) and that the conductivity of free carriers increases. Recently, however, some peculiar doping characteristics were…
We investigate the influence of an unoccupied band on the transport properties of a strongly correlated electron system. For that purpose, additional orbitals are coupled to a Hubbard model via hybridization. The filling is one electron per…
We investigate the doping dependence of the nanoscale electronic and magnetic inhomogeneities in the hole-doping range 0.002<x<0.1 of cobalt based perovskites, La{1-x}Sr_xCoO_3. Using single crystal inelastic neutron scattering and…
Recent I/V curve measurements suggest that C60 molecules deposited in gold nanojunctions change their adsorption configuration when a finite voltage in a 2-terminal setting is applied. This is of interest for molecular electronics because a…
The band gap engineering of group IV semiconductors has not been well explored theoretically and experimentally, except for SiGe. Recently, GeSn has attracted much attention due to the possibility of obtaining a direct band gap in this…
Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum $\delta$-doped layers in silicon with densities above the solid solubility limit. We use density functional theory to…
We investigate the doping of AA-stacked graphene bilayers. Applying a mean field theory at zero temperature we find that, at half-filling, the bilayer is an antiferromagnetic insulator. Upon doping, the homogeneous phase becomes unstable…
Based on a self-consistent $t$-matrix approximation, we explore the influence of magnetic and nonmagnetic doping on the surface electronic states and conductivity of topological insulators. We show that warping parameter has a crucial…
We examine the thermodynamic properties of the hole- and electron-doped cuprates by using the t-t'-t''-J model. We find that the chemical potential shows different doping dependence between the hole and electron dopings. Recent experimental…
The moir\'e pattern induced by lattice mismatch in transition-metal dichalcogenide heterobilayers causes the formation of flat bands, where interactions dominate the kinetic energy. At fractional fillings of the flat valence band, the…
Within the framework of the kinetic energy driven d-wave superconductivity, the electronic structure of the electron doped cuprate superconductors is studied. It is shown that although there is an electron-hole asymmetry in the phase…