1,807 research outputs found
System-size convergence of point defect properties: The case of the silicon vacancy
We present a comprehensive study of the vacancy in bulk silicon in all its
charge states from 2+ to 2-, using a supercell approach within plane-wave
density-functional theory, and systematically quantify the various
contributions to the well-known finite size errors associated with calculating
formation energies and stable charge state transition levels of isolated
defects with periodic boundary conditions. Furthermore, we find that transition
levels converge faster with respect to supercell size when only the Gamma-point
is sampled in the Brillouin zone, as opposed to a dense k-point sampling. This
arises from the fact that defect level at the Gamma-point quickly converges to
a fixed value which correctly describes the bonding at the defect centre. Our
calculated transition levels with 1000-atom supercells and Gamma-point only
sampling are in good agreement with available experimental results. We also
demonstrate two simple and accurate approaches for calculating the valence band
offsets that are required for computing formation energies of charged defects,
one based on a potential averaging scheme and the other using
maximally-localized Wannier functions (MLWFs). Finally, we show that MLWFs
provide a clear description of the nature of the electronic bonding at the
defect centre that verifies the canonical Watkins model.Comment: 10 pages, 6 figure
The utility of surface magnetic field measurements in the MAGSAT program
To take full advantage of the global, vector, survey by the Magsat satellite, and international program of augmented surface measurements was proposed. For secular variation and upper mantle conductivity the proposed measurements are global. The repeat station measurements for secular variation should be occupied at 2-3 year intervals. A special observing period in November and December of 1979 is proposed during which simultaneous, continuous, global measurements for upper mantle conductivity studies are to be gathered. Finally, it is recommended that the networks in operation during the IMS extend their operation through the Fall of 1980 to provide correlative data useful for high latitude disturbance studies and for crustal conductivity studies
Initial geomagnetic field model from MAGSAT
Magsat data from magnetically quiet days were used to derive a thirteenth degree and order spherical harmonic geomagnetic field model, MGST(3/80). The model utilized both scalar and vector data and fit that data with standard deviations of 8, 52, 55 and 97 nT for the scalar magnitude, B sub r, B sub theta and B sub phi respectively. When compared with earlier models, the Earth's dipole moment continues to decrease at a rate of about 26 nT/year. Evaluation of earlier models with Magsat data shows that the scalar field at the Magsat epoch is best predicted by the POGO(2/72) model but that the AWC/75 and IGS/75 are better for predicting vector fields
Effect of electron-nuclear spin interactions on electron-spin qubits localized in self-assembled quantum dots
The effect of electron-nuclear spin interactions on qubit operations is
investigated for a qubit represented by the spin of an electron localized in a
self-assembled quantum dot. The localized electron wave function is evaluated
within the atomistic tight-binding model. The magnetic field generated by the
nuclear spins is estimated in the presence of an inhomogeneous environment
characterized by a random nuclear spin configuration, by the dot-size
distribution, by alloy disorder, and by interface disorder. Due to these
inhomogeneities, the magnitude of the nuclear magnetic field varies from one
qubit to another by the order of 100 G, 100 G, 10 G, and 0.1 G, respectively.
The fluctuation of the magnetic field causes errors in exchange operations due
to the inequality of the Zeeman splitting between two qubits. We show that the
errors can be made lower than the quantum error threshold if an exchange energy
larger than 0.1 meV is used for the operation.Comment: 15 pages, 2 figure
Rationale and budget impact of bimonthly use of Cetuximab in patients with recurrent and/or metastatic head and neck cancer
Carotid artery stenting with filter protection in high-risk patients showing severe electroencephalographic alterations during carotid endarterectomy
Purpose: To describe the results and efficacy of stent treatment in patients with carotid
stenosis who had aborted carotid endarterectomy procedures due to the appearance of
severe electroencephalographic (EEG) alterations.
Methods: A retrospective study was conducted of 18 patients (11 men; mean age 72 years,
range 62–84) with symptomatic high-grade carotid artery stenoses ( 70%) who experienced
severe EEG alterations during carotid endarterectomy, causing the procedure to be
aborted. Twelve patients had shown no hemodynamic alterations during preoperative
transcranial Doppler evaluation after external compression of the common carotid artery;
the remaining 6 could not be evaluated. The patients were referred for carotid artery stenting
(CAS); 7 had contralateral internal carotid artery stenosis and 5 had contralateral occlusion.
Endovascular intervention was carried out using standard techniques under filter
protection. Follow-up was scheduled at 3, 6, and 12 months.
Results: All patients were successfully treated without immediate complications. The EEG
did not display any significant alterations during the endovascular procedure. Mean followup
was 43 months. Magnetic resonance imaging at 6 months showed no signs of cerebral
ischemia. Color Doppler ultrasound imaging documented normal stent patency in all patients.
Conclusion: Patients with symptomatic severe carotid stenosis ( 70%) who are considered
at risk due to the appearance of severe EEG alterations during surgical treatment may
benefit from CAS with respect to both major and minor complications. Larger studies are
needed to confirm these findings.
J Endovasc Ther 2006;13:451–456
Key words: carotid endarterectomy, carotid artery, stenosis, electroencephalography, cerebral
ischemia, carotid angioplasty, sten
Non-Commutative Geometry and Measurements of Polarized Two Photon Coincidence Counts
Employing Maxwell's equations as the field theory of the photon, quantum
mechanical operators for spin, chirality, helicity, velocity, momentum, energy
and position are derived. The photon ``Zitterbewegung'' along helical paths is
explored. The resulting non-commutative geometry of photon position and the
quantum version of the Pythagorean theorem is discussed. The distance between
two photons in a polarized beam of given helicity is shown to have a discrete
spectrum. Such a spectrum should become manifest in measurements of two photon
coincidence counts. The proposed experiment is briefly described.Comment: Latex, 13 pages, 3 figure
Economic burden of HPV9-related diseases : a real world cost analysis from Italy
The objectives of this study were to estimate the economic burden of HPV in Italy, accounting for total direct medical costs associated with nine major HPV-related diseases, and to provide a measure of the burden attributable to HPV 6, 11, 16, 18, 31, 33, 45, 52, 58 infections
Nanotechnology in machining processes: recent advances
In this brief survey, the use of nanoparticle dispersions in machining processes is discussed and the relevant applicational performances are analysed and related to the structural and chemical composition of the embedded nanophase. The paper is divided in two basic parts. In the former, the metalworking nanofluids are classified with respect to the physico-chemical properties of the nanostructured phase suspended in the base fluid. In the latter, some aspects concerning the production of metalworking nanofluids are analysed and a new green and economically viable technique based on a cementation process for metal nanoparticle synthesis is proposed as an alternative approach to the conventional manufacturing techniques
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