Related papers: Conductance of a hydrogen molecule
We report on the phase measurements on a quantum dot containing a single electron in the Kondo regime. Transport takes place through a single orbital state. Although the conductance is far from the unitary limit, we measure for the first…
On the basis of the Chalker-Coddington network model, a numerical and analytical study is made of the statistics of point-contact conductances for systems in the integer quantum Hall regime. In the Hall plateau region the point-contact…
Probabilities of resonant tunneling through a potential barrier are compared for a rigid molecule and an excited molecule. It is shown that the resonance spectrum is mainly governed by the transmission resonance spectrum of the rigid…
We have mapped the molecular-atomic transition in liquid hydrogen using first principles molecular dynamics. We predict that a molecular phase with short-range orientational order exists at pressures above 100 GPa. The presence of this…
We study the conductance of an interconnect between two graphene leads formed by a single-atom carbon chain. Its dependence on the chemical potential and the number of atoms in the chain is qualitatively different from that in the case of…
The tunneling conductance is calculated as a function of the gate voltage in wide temperature range for the single quantum dot systems with Coulomb interaction. We assume that two orbitals are active for the tunneling process. We show that…
We use DFT to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes. The five molecules considered (NO2, NH2, H, COOH, OH) lead to similar scattering of the electrons. The adsorption of a single molecule…
Dimensions and molecular structure play pivotal roles in the principle of heat conduction. The dimensional characteristics of solution within nanoscale systems depend on the degrees of confinement. However, the influence of such variations…
The frequency dependence of dynamical conductivity of the quasi-one-dimensional structures with hydrogen bonds is studied on the basis of pseudospin-electron model. It takes into account the proton-electron interaction, external…
The quantum conductance of the single-electron tunneling (SET) transistor is investigated in this paper by the functional integral approach. The formalism is valid for arbitrary tunnel resistance of the junctions forming the SET transistor…
Kondo effect in the vicinity of a singlet-triplet transition in a vertical quantum dot is considered. This system is shown to map onto a special version of the two-impurity Kondo model. At any value of the control parameter, the system has…
We present a theoretical study of electron transport through a molecule connected to two metallic nanocontacts. The system investigated is 1,4 benzene-dithiolate (BDT) chemically bonded to two Au contacts. The surface chemistry is modeled…
Hydrogen bonds are typically treated as sufficiently localized directional intermolecular bonds, in which dispersion and electrostatic contributions can be distinguished. However, being formed chiefly due to the overlapping of p orbitals of…
Short length quantum wires (quantum contacts) exhibit a conductance structure at the value of conductance close to 0.7 \times 2e^2/h. The structure is also called the conductance anomaly. In longer contacts the structure evolves to the…
In this thesis, I investigate the molecular electronic properties of molecular junctions formed from single molecules. I started my thesis by discusses the main theoretical methods using in this work density functional theory and the green…
The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…
We investigate the electron-transport properties of ethyne-bridged diphenyl zinc-porphyrin molecules suspended between gold (111) electrodes by first-principles calculations within the framework of density functional theory. It is found…
Quasi-one dimensional electron systems have been created using a suspended helium film on a structured substrate. The electron mobility along the channel is calculated by taking into account the essential scattering processes of electrons…
To shed new light on the mechanism of superconductivity in sodium cobalt oxide bilayer-hydrate (BLH), we perform a density functional calculation with full structure optimization for BLH and its related nonsuperconducting phase, monolayer…
We consider a class of systems where, due to the large mismatch of dielectric constants, the Coulomb interaction is approximately one-dimensional. Examples include ion channels in lipid membranes and water filled nanopores in silicon or…