11 research outputs found
An elastic model for the In-In correlations in In(x)Ga(1-x)As semiconductor alloys
Deviations from randomicity in In(x)Ga(1-x) As semiconductor alloys induced
by elastic effects are investigated within the Keating potential. Our model is
based on Monte Carlo simulations on large (4096 atoms) supercells, performed
with two types of boundary conditions: Fully periodic boundary conditions
represent the bulk, while periodic boundary conditions along the x and y
directions and a free surface in the z direction simulate the epitaxial growth
environment. We show that In-In correlations identified in the bulk tend to be
enhanced in the epitaxially grown samples.Comment: 13 pages, 1 figure, published in Solid State Communication
Electric Field Control of Shallow Donor Impurities in Silicon
We present a tight-binding study of donor impurities in Si, demonstrating the
adequacy of this approach for this problem by comparison with effective mass
theory and experimental results. We consider the response of the system to an
applied electric field: donors near a barrier material and in the presence of
an uniform electric field may undergo two different ionization regimes
according to the distance of the impurity to the Si/barrier interface. We show
that for impurities ~ 5 nm below the barrier, adiabatic ionization is possible
within switching times of the order of one picosecond, while for impurities ~
10 nm or more below the barrier, no adiabatic ionization may be carried out by
an external uniform electric field. Our results are discussed in connection
with proposed Si:P quantum computer architectures.Comment: 18 pages, 6 figures, submitted to PR
Carbon antisite clusters in SiC: a possible pathway to the D_{II} center
The photoluminescence center D_{II} is a persistent intrinsic defect which is
common in all SiC polytypes. Its fingerprints are the characteristic phonon
replicas in luminescence spectra. We perform ab-initio calculations of
vibrational spectra for various defect complexes and find that carbon antisite
clusters exhibit vibrational modes in the frequency range of the D_{II}
spectrum. The clusters possess very high binding energies which guarantee their
thermal stability--a known feature of the D_{II} center. The di-carbon antisite
(C_{2})_{Si} (two carbon atoms sharing a silicon site) is an important building
block of these clusters.Comment: RevTeX 4, 6 pages, 3 figures Changes in version 2: Section headings,
footnote included in text, vibrational data now given for neutral
split-interstitial, extended discussion of the [(C_2)_Si]_2 defect incl.
figure Changes version 3: Correction of binding energy for 3rd and 4th carbon
atom at antisite; correction of typo
Tight-binding study of the influence of the strain on the electronic properties of InAs/GaAs quantum dots
We present an atomistic investigation of the influence of strain on the
electronic properties of quantum dots (QD's) within the empirical tight-binding (ETB) model with interactions up to 2nd nearest neighbors
and spin-orbit coupling. Results for the model system of capped pyramid-shaped
InAs QD's in GaAs, with supercells containing atoms are presented and
compared with previous empirical pseudopotential results. The good agreement
shows that ETB is a reliable alternative for an atomistic treatment. The strain
is incorporated through the atomistic valence force field model. The ETB
treatment allows for the effects of bond length and bond angle deviations from
the ideal InAs and GaAs zincblende structure to be selectively removed from the
electronic-structure calculation, giving quantitative information on the
importance of strain effects on the bound state energies and on the physical
origin of the spatial elongation of the wave functions. Effects of dot-dot
coupling have also been examined to determine the relative weight of both
strain field and wave function overlap.Comment: 22 pages, 7 figures, submitted to Phys. Rev. B (in press) In the
latest version, added Figs. 3 and 4, modified Fig. 5, Tables I and II,.and
added new reference
Electric-Field Effects on the Band-Edge States of GaAs/AlAs Coupled Quantum Wells
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Tight binding study of the influence of the strain on the electronic properties of InAs GaAs quantum dots
We presented an atomistic investigation of the influence of strain on the electronic properties of quantum dots QD s within the empirical sp3s tight binding ETB model with interactions up to second nearest neighbors and spin orbit coupling. Results for the model system of capped pyramid shaped InAs QD s in GaAs, with supercells containing 105 atoms are presented and compared with previous empirical pseudopotential results. The good agreement shows that the ETB is a reliable alternative for an atomistic treatment. The strain is incorporated through the atomic valence force field model. The ETB treatment allows for the effects of bond length and bond angle deviations from the ideal InAs and GaAs zinc blende structure to be selectively removed from the electronic structure calculation, giving quantitative information on the importance of strain effects on the bound state energies and on the physical origin of the spatial elongation of the wave function. Effects of dot dot coupling have also been examined to determine the relative weight of both strain field and wavefunction overla
Exciton distribution on single-walled carbon nanotube
In this paper we calculate the binding energy of an exciton using the tight-binding model and discuss the exciton distribution in detail. We analytically explain the dependence of the
distribution direction of exciton on the chiral angle, and the distribution localization along the
tube axis and oscillating along the tube circumference. The size of exciton is estimated to be
slightly larger than the diameter of the nanotube and it shows two family patterns versus the
inverse of tube diameter as similar as in the exciton binding energy