Browsing by Subject "Atom"

Now showing 1 - 5 of 5

Open Access
Atomic scale study of superlow friction between hydrogenated diamond surfaces
(American Physical Society, 2004) Dag, S.; Çıracı, Salim
Strong attractive interaction between two clean diamond (001) slabs turns repulsive upon the hydrogenation of surfaces. This repulsive interaction serves as if a boundary lubricant and prevents the sliding surfaces from being closer to each other even under high normal forces. As a result, calculated lateral force variation generated during sliding has small magnitude under high constant loading forces. Superlow friction observed earlier between diamondlike carbon-coated surfaces can be understood by the steady repulsive interaction between sliding surfaces, as well as strong and stiff carbon-carbon and carbon-hydrogen bonds which do not favor energy dissipation. In ambient conditions, the steady repulsive interaction is, however, destroyed by oxygen atoms which chemically modify those stiff surface bonds.
Open Access
Manipulation of atoms across a surface at room temperature
(Nature Publishing Group, 2000) Fishlock, T. W.; Oral, A.; Egdell, R. G.; Pethica, J. B.
Since the realization that the tips of scanning probe microscopes can interact with atoms at surfaces, there has been much interest in the possibility of building or modifying nanostructures or molecules directly from single atoms. Individual large molecules can be positioned on surfaces, and atoms can be transferred controllably between the sample and probe tip. The most complex structures are produced at cryogenic temperatures by sliding atoms across a surface to chosen sites. But there are problems in manipulating atoms laterally at higher temperatures - atoms that are sufficiently well bound to a surface to be stable at higher temperatures require a stronger tip interaction to be moved. This situation differs significantly from the idealized weakly interacting tips of scanning tunnelling or atomic force microscopes. Here we demonstrate that precise positioning of atoms on a copper surface is possible at room temperature. The triggering mechanism for the atomic motion unexpectedly depends on the tunnelling current density, rather than the electric field or proximity of tip and surface.
Open Access
Quantum effects of thermal conductance through atomic chains
(2001) Ozpineci, A.; Çıracı, Salim
We present a formalism for an atomic scale study of phononic heat transfer. The expression of thermal energy current can be cast in the Landauer form and incorporates the transmission coefficient explicitly. Calculation of the thermal conductance of a monoatomic chain of N atoms between two reservoirs shows interesting quantum features. The conductance density appears as Lorentzian type resonances at the eigenfrequencies of the chain. At low-temperature limit the discrete vibrational frequency spectrum of a "soft" chain may reflect on the thermal conductance by giving rise to a sudden increase. At room temperature, the conductance through a "stiff" chain may oscillate with the number of chain atoms. The obtained quantum features are compared with similar effects found in the quantized electrical conductance.
Open Access
Theoretical study of crossed and parallel carbon nanotube junctions and three-dimensional grid structures
(American Physical Society, 2004) Dag, S.; Senger, R. T.; Çıracı, Salim
This work presents a first-principles study of parallel and crossed junctions of single-wall carbon nanotubes (SWNT). The crossed junctions are modeled by two-dimensional grids of zigzag SWNTs. The atomic and electronic structure, stability, and energetics of the junctions are studied for different magnitudes of contact forces pressing the tubes towards each other and hence inducing radial deformations. Under relatively weak contact forces the tubes are linked with intertube bonds which allow a significant conductance through the junction. These interlinking bonds survive even after the contact forces are released and whole structure is fully relaxed. Upon increasing contact force and radial deformation the tube surfaces are flattened but the interlinking bonds are broken to lead to a relatively wider intertube spacing. The intertube conductance through such a junction diminish because of finite potential barrier intervening between the tubes. The linkage of crossing tubes to form stable junctions is enhanced by a vacancy created at the contact. The three-dimensional grid structure formed by SWNTs is also investigated as a possible framework in device integration.
Open Access
Theoretical study of Ga-based nanowires and the interaction of Ga with single-wall carbon nanotubes
(American Physical Society, 2004) Durgun, Engin; Dag, S.; Çıracı, Salim
Gallium displays physical properties which can make it a potential element to produce metallic nanowires and high-conducting interconnects in nanoelectronics. Using first-principles pseudopotential plane method we showed that Ga can form stable metallic linear and zigzag monatomic chain structures. The interaction between individual Ga atom and single-wall carbon nanotube (SWNT) leads to a chemisorption bond involving charge transfer. Doping of SWNT with Ga atom gives rise to donor states. Owing to a significant interaction between individual Ga atom and SWNT, continuous Ga coverage of the tube can be achieved. Ga nanowires produced by the coating of carbon nanotube templates are found to be stable and high conducting.