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Microscopic origin of the 1.3 G0 conductance observed in oxygen-doped silver quantum point contacts
(2014)
Besides the peak at one conductance quantum, G0, two additional features at ∼0.4 G0 and ∼1.3 G0 have been observed in the conductance histograms of silver quantum point contacts at room temperature in ambient conditions. ...
"Scattered surface charge density: A tool for surface characterization"
(2011)
We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished ...
Time-dependent electron transport through a strongly correlated quantum dot: multiple-probe open-boundary conditions approach
(2013)
We present a time-dependent study of electron transport through a strongly correlated quantum dot. The time-dependent current is obtained with the multiple-probe battery method, while adiabatic lattice density functional ...
Spin scattering and spin-polarized hybrid interface states at a metal-organic interface
(2011)
Spin scattering at the interface formed between metallic Fe and Cu-phthalocyanine molecules is investigated by spin-polarized scanning tunneling spectroscopy and spin-resolved photoemission. The results are interpreted ...
Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory
(2012)
The Bethe ansatz local density approximation (LDA) to lattice density functional theory (LDFT) for the one-dimensional repulsive Hubbard model is extended to current-LDFT (CLDFT). The transport properties of mesoscopic ...
Conductance of a phenylene-vinylene molecular wire: Contact gap and tilt angle dependence
(2010)
Charge transport through a molecular junction comprising an oligomer of p-phenylene-vinylene between gold contacts has been investigated using density-functional theory and the nonequilibrium Green?s function method. The ...
Spin transport properties of triarylamine-based nanowires
(2014)
Triarylamine-derivatives can self-assemble upon light irradiation in one-dimensional nanowires with remarkable hole transport properties. We use a combination of density functional theory and Monte Carlo simulations to ...
Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms
(2011)
The spin-dependent transportproperties of single ferrocene, cobaltocene, and nickelocene molecules attached to the sidewall of a (4,4) armchair single-walled carbon nanotube via a Ni adatom are investigated by using a ...
Possible doping strategies for MoS2 monolayers: An ab initio study
(2013)
Density functional theory is used to systematically study the electronic properties of doped MoS2 monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional ...