102 research outputs found
STM characterization of the Si-P heterodimer
We use scanning tunneling microscopy (STM) and Auger electron spectroscopy to
study the behavior of adsorbed phosphine (PH) on Si(001), as a function
of annealing temperature, paying particular attention to the formation of the
Si-P heterodimer. Dosing the Si(001) surface with 0.002 Langmuirs of
PH results in the adsorption of PH (x=2,3) onto the surface and
some etching of Si to form individual Si ad-dimers. Annealing to 350C
results in the incorporation of P into the surface layer to form Si-P
heterodimers and the formation of short 1-dimensional Si dimer chains and
monohydrides. In filled state STM images, isolated Si-P heterodimers appear as
zig-zag features on the surface due to the static dimer buckling induced by the
heterodimer. In the presence of a moderate coverage of monohydrides this static
buckling is lifted, rending the Si-P heterodimers invisible in filled state
images. However, we find that we can image the heterodimer at all H coverages
using empty state imaging. The ability to identify single P atoms incorporated
into Si(001) will be invaluable in the development of nanoscale electronic
devices based on controlled atomic-scale doping of Si.Comment: 6 pages, 4 figures (only 72dpi
Tuning of defects in ZnO nanorod arrays used in bulk heterojunction solar cells.
With particular focus on bulk heterojunction solar cells incorporating ZnO nanorods, we study how different annealing environments (air or Zn environment) and temperatures impact on the photoluminescence response. Our work gives new insight into the complex defect landscape in ZnO, and it also shows how the different defect types can be manipulated. We have determined the emission wavelengths for the two main defects which make up the visible band, the oxygen vacancy emission wavelength at approximately 530 nm and the zinc vacancy emission wavelength at approximately 630 nm. The precise nature of the defect landscape in the bulk of the nanorods is found to be unimportant to photovoltaic cell performance although the surface structure is more critical. Annealing of the nanorods is optimum at 300°C as this is a sufficiently high temperature to decompose Zn(OH)2 formed at the surface of the nanorods during electrodeposition and sufficiently low to prevent ITO degradation.RIGHTS : This article is licensed under the BioMed Central licence at http://www.biomedcentral.com/about/license which is similar to the 'Creative Commons Attribution Licence'. In brief you may : copy, distribute, and display the work; make derivative works; or make commercial use of the work - under the following conditions: the original author must be given credit; for any reuse or distribution, it must be made clear to others what the license terms of this work are
Structure and Stability of Si(114)-(2x1)
We describe a recently discovered stable planar surface of silicon, Si(114).
This high-index surface, oriented 19.5 degrees away from (001) toward (111),
undergoes a 2x1 reconstruction. We propose a complete model for the
reconstructed surface based on scanning tunneling microscopy images and
first-principles total-energy calculations. The structure and stability of
Si(114)-(2x1) arises from a balance between surface dangling bond reduction and
surface stress relief, and provides a key to understanding the morphology of a
family of surfaces oriented between (001) and (114).Comment: REVTeX, 4 pages + 3 figures. A preprint with high-resolution figures
is available at http://cst-www.nrl.navy.mil/papers/si114.ps . To be published
in Phys. Rev. Let
Split-off dimer defects on the Si(001)2x1 surface
Dimer vacancy (DV) defect complexes in the Si(001)2x1 surface were
investigated using high-resolution scanning tunneling microscopy and first
principles calculations. We find that under low bias filled-state tunneling
conditions, isolated 'split-off' dimers in these defect complexes are imaged as
pairs of protrusions while the surrounding Si surface dimers appear as the
usual 'bean-shaped' protrusions. We attribute this to the formation of pi-bonds
between the two atoms of the split-off dimer and second layer atoms, and
present charge density plots to support this assignment. We observe a local
brightness enhancement due to strain for different DV complexes and provide the
first experimental confirmation of an earlier prediction that the 1+2-DV
induces less surface strain than other DV complexes. Finally, we present a
previously unreported triangular shaped split-off dimer defect complex that
exists at SB-type step edges, and propose a structure for this defect involving
a bound Si monomer.Comment: 8 pages, 7 figures, submitted to Phys. Rev.
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Diffusion Kinetics in the Pd/Cu(001) Surface Alloy
We use atom-tracking scanning tunneling microscopy to study the diffusion of Pd in the Pd/Cu(001) surface alloy. By following the motion of individual Pd atoms incorporated in the surface, we show that Pd diffuses by a vacancy-exchange, mechanism. We measure an effective activation energy for the diffusion of incorporated Pd atoms of 0.88 eV, which is consistent with an ab initio calculated barrier of 0.94 eV
Non-Arrhenius Behavior of Surface Diffusion Near a Phase Transition Boundary
We study the non-Arrhenius behavior of surface diffusion near the
second-order phase transition boundary of an adsorbate layer. In contrast to
expectations based on macroscopic thermodynamic effects, we show that this
behavior can be related to the average microscopic jump rate which in turn is
determined by the waiting-time distribution W(t) of single-particle jumps at
short times. At long times, W(t) yields a barrier that corresponds to the
rate-limiting step in diffusion. The microscopic information in W(t) should be
accessible by STM measurements.Comment: 4 pages, Latex with RevTeX macro
Towards the fabrication of phosphorus qubits for a silicon quantum computer
The quest to build a quantum computer has been inspired by the recognition of
the formidable computational power such a device could offer. In particular
silicon-based proposals, using the nuclear or electron spin of dopants as
qubits, are attractive due to the long spin relaxation times involved, their
scalability, and the ease of integration with existing silicon technology.
Fabrication of such devices however requires atomic scale manipulation - an
immense technological challenge. We demonstrate that it is possible to
fabricate an atomically-precise linear array of single phosphorus bearing
molecules on a silicon surface with the required dimensions for the fabrication
of a silicon-based quantum computer. We also discuss strategies for the
encapsulation of these phosphorus atoms by subsequent silicon crystal growth.Comment: To Appear in Phys. Rev. B Rapid Comm. 5 pages, 5 color figure
Density-functional study of hydrogen chemisorption on vicinal Si(001) surfaces
Relaxed atomic geometries and chemisorption energies have been calculated for
the dissociative adsorption of molecular hydrogen on vicinal Si(001) surfaces.
We employ density-functional theory, together with a pseudopotential for Si,
and apply the generalized gradient approximation by Perdew and Wang to the
exchange-correlation functional. We find the double-atomic-height rebonded D_B
step, which is known to be stable on the clean surface, to remain stable on
partially hydrogen-covered surfaces. The H atoms preferentially bind to the Si
atoms at the rebonded step edge, with a chemisorption energy difference with
respect to the terrace sites of >sim 0.1 eV. A surface with rebonded single
atomic height S_A and S_B steps gives very similar results. The interaction
between H-Si-Si-H mono-hydride units is shown to be unimportant for the
calculation of the step-edge hydrogen-occupation. Our results confirm the
interpretation and results of the recent H_2 adsorption experiments on vicinal
Si surfaces by Raschke and Hoefer described in the preceding paper.Comment: 13 pages, 8 figures, submitted to Phys. Rev. B. Other related
publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm
Adatom diffusion on vicinal surfaces with permeable steps
We study the behavior of single atoms on an infinite vicinal surface assuming
certain degree of step permeability. Assuming complete lack of re-evaporation
an ruling out nucleation the atoms will inevitably join kink sites at the steps
but can do many attempts before that. Increasing the probability of step
permeability or the kink spacing lead to increase of the number of steps
crossed before incorporation of the atoms into kink sites. The asymmetry of the
attachment-detachment kinetics (Ehrlich-Schwoebel effect) suppresses the step
permeability and completely eliminates it in the extreme case of infinite
Ehrlich-Schwoebel barrier. The average number of permeability events per atom
scales with the average kink spacing. A negligibly small drift of the adatoms
in a direction perpendicular to the steps leads to a significant asymmetry of
the distribution of the permeability events the atoms thus visiting more
distant steps in the direction of the drift.Comment: 12 pages, 6 figure
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Negative priming and occasion setting in an appetitive Pavlovian procedure
Rats received training in which two auditory target stimuli, X and Y, were signaled by two visual stimuli, A and B, and followed by food (i.e., A→X1, B→Y+). The test consisted of presentations of X and Y preceded either by the same signal as during training (same trials: A→X, B→Y) or by the alternative signal (different trials: A→Y, B→X). After 8 training sessions, the animals responded less on same trials than on different trials; this effect was significantly reduced after 24 training sessions. In two additional experiments, animals that had also experienced presentations of A and B alone, either before or during training, showed the opposite pattern of results, responding more on same trials than on different trials. These results are interpreted as being due to the interaction between the effects of occasion setting andnegative priming (see Wagner, 1981)
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