相关论文: Electron channels in biomolecular nanowires

While recent experiments have found that at optimum doping for the highest critical temperature in HgBa$_2$CuO$_{4+y}$ (Hg1201) the oxygen interstitials (O-i) are not homogeneously distributed but form one-dimensional atomic wires, there…

The excited state electronic structure of $\pi$ conjugated phenylene-acetylene oligomers is calculated using time-dependent density functional theory (TD-DFT) approaches. The theoretical fluorescence spectra are analyzed in terms of…

The transition metal nitride BaHfN$_2$, which consists of weakly bonded neutral slabs of closed shell ions, has structural and chemical similarities to other layered nitrides which have impressive superconducting T$_c$ when electron doped:…

Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…

Linear conductance of junctions formed by graphene flakes with order of nanometer-thick electrodes attached at the corners of the flakes is studied. The explored structures have sizes up to 20000 atoms and the conductance is studied as a…

The electronic structures of boron nitride nanotubes (BNNTs) doped by organic molecules are investigated with density functional theory. Electrophilic molecule introduces acceptor states in the wide gap of BNNT close to the valence band…

By means of DFT-based first-principles calculations, we examine two polymorphs of the newly synthesized 1111-like MgFeSeO as possible new superconducting systems. We have found that the polymorph with blocks [MgO], where Mg atoms are placed…

We use polarization-resolved electronic Raman spectroscopy to study charge dynamics in non-magnetic FeSe$_{1-x}$S$_x$ superconductor. We observe two features of the $XY$ quadrupole symmetry: a low-energy quasi-elastic peak (QEP) and an…

We report the fabrication of electrostatically defined nanostructures in encapsulated bilayer graphene, with leakage resistances below depletion gates as high as $R \sim 10~$G$\Omega$. This exceeds previously reported values of $R =~$10 -…

Sn-containing Si and Ge alloys belong to an emerging family of semiconductors with the potential to impact group IV semiconductor devices. Indeed, the ability to independently engineer both lattice parameter and band gap holds the premise…

We report the growth of films of the intrinsic ferromagnetic semiconductor NdN, and an investigation of their optical and transport properties. There is clear evidence of a strong anomalous Hall effect as expected from a 4f conduction…

We discuss the conductance of a molecular bridge between mesoscopic electrodes supporting low-dimensional transport and bearing an internal structure. As an example for such nanoelectrodes we assume semi-infinite (carbon) nanotubes. In the…

The electron transport in the two-dimensional gas formed in tensile-strained Si1-xGex/Si/Si1-xGex heterostructures is investigated using Monte Carlo simulation. At first the electron mobility is studied in ungated modulation doped…

In this paper, we study the quantum properties of a bilayer graphene with (asymmetry) line defects. The localized states are found around the line defects. Thus, the line defects on one certain layer of the bilayer graphene can lead to an…

The layered ternary sp conductor NaAlSi, possessing the iron-pnictide "111" crystal structure, superconducts at 7 K. Using density functional methods, we show that this compound is an intrinsic (self-doped) low-carrier-density semimetal…

The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of single molecule electronics and then move on to focus on some…

We performed an {\it ab initio} investigation on the properties of rutile tin oxide (SnO$_{x}$) nanowires. We computed the wire properties determining the equilibrium geometries, binding energies and electronic band structures for several…

Electronic transport is theoretically investigated in laterally confined semiconductor superlattices using the formalism of non-equilibrium Green's functions. The transport properties are calculated for nanowire superlattices of varying…

We study the effect of electron-electron interactions in the electronic properties of a biased graphene bilayer. This system is a semiconductor with conduction and valence bands characterized by an unusual ``mexican-hat'' dispersion. We…

Many-body electron interactions are at the heart of chemistry and solid-state physics. Understanding these interactions is crucial for the development of molecular-scale quantum and nanoelectronic devices. Here, we investigate…