Eight-band calculations of strained InAs/GaAs quantum dots compared with one, four, and six-band approximations

The electronic structure of pyramidal shaped InAs/GaAs quantum dots is calculated using an eight-band strain dependent $\bf k\cdot p$ Hamiltonian. The influence of strain on band energies and the conduction-band effective mass are examined. Single particle bound-state energies and exciton binding energies are computed as functions of island size. The eight-band results are compared with those for one, four and six bands, and with results from a one-band approximation in which m(r) is determined by the local value of the strain. The eight-band model predicts a lower ground state energy and a larger number of excited states than the other approximations.Comment: 8 pages, 7 figures, revtex, eps

Tight-Binding model for semiconductor nanostructures

An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix elements up to the second nearest neighbors and the spin-orbit coupling are included in our TB-model. The parametrization is chosen so that the effective masses, the spin-orbit-splitting and the gap energy of the bulk CdSe and ZnSe are reproduced. Within this reduced $s_cp_a^3$ TB-basis the valence (p-) bands are excellently reproduced and the conduction (s-) band is well reproduced close to the $\Gamma$-point, i.e. near to the band gap. In terms of this model much larger systems can be described than within a (more realistic) $sp^3s^*$-basis. The quantum dot is modelled by using the (bulk) TB-parameters for the particular material at those sites occupied by atoms of this material. Within this TB-model we study pyramidal-shaped CdSe quantum dots embedded in a ZnSe matrix and free spherical CdSe quantum dots (nanocrystals). Strain-effects are included by using an appropriate model strain field. Within the TB-model, the strain-effects can be artifically switched off to investigate the infuence of strain on the bound electronic states and, in particular, their spatial orientation. The theoretical results for spherical nanocrystals are compared with data from tunneling spectroscopy and optical experiments. Furthermore the influence of the spin-orbit coupling is investigated

Anomalous quantum confined Stark effects in stacked InAs/GaAs self-assembled quantum dots

Vertically stacked and coupled InAs/GaAs self-assembled quantum dots (SADs) are predicted to exhibit a strong non-parabolic dependence of the interband transition energy on the electric field, which is not encountered in single SAD structures nor in other types of quantum structures. Our study based on an eight-band strain-dependent ${\bf k}\cdot{\bf p}$ Hamiltonian indicates that this anomalous quantum confined Stark effect is caused by the three-dimensional strain field distribution which influences drastically the hole states in the stacked SAD structures.Comment: 4 pages, 4 figure

Single and vertically coupled type II quantum dots in a perpendicular magnetic field: exciton groundstate properties

The properties of an exciton in a type II quantum dot are studied under the influence of a perpendicular applied magnetic field. The dot is modelled by a quantum disk with radius $R$, thickness $d$ and the electron is confined in the disk, whereas the hole is located in the barrier. The exciton energy and wavefunctions are calculated using a Hartree-Fock mesh method. We distinguish two different regimes, namely $d<<2R$ (the hole is located at the radial boundary of the disk) and $d>>2R$ (the hole is located above and below the disk), for which angular momentum $(l)$ transitions are predicted with increasing magnetic field. We also considered a system of two vertically coupled dots where now an extra parameter is introduced, namely the interdot distance $d_{z}$. For each $l_{h}$ and for a sufficient large magnetic field, the ground state becomes spontaneous symmetry broken in which the electron and the hole move towards one of the dots. This transition is induced by the Coulomb interaction and leads to a magnetic field induced dipole moment. No such symmetry broken ground states are found for a single dot (and for three vertically coupled symmetric quantum disks). For a system of two vertically coupled truncated cones, which is asymmetric from the start, we still find angular momentum transitions. For a symmetric system of three vertically coupled quantum disks, the system resembles for small $d_{z}$ the pillar-like regime of a single dot, where the hole tends to stay at the radial boundary, which induces angular momentum transitions with increasing magnetic field. For larger $d_{z}$ the hole can sit between the disks and the $l_{h}=0$ state remains the groundstate for the whole $B$-region.Comment: 11 pages, 16 figure

One Hundred Years of Observations of the Be Star HDE 245770 (the X-ray Binary A0535+26/V725 Tau): The End of an Active Phase

UBV observations of the X-ray binary system A0535+26/V725 Tau at the Crimean Station of the Sternberg Astronomical Institute in 1980-1998 are presented. Based on our and published data, we analyze the photometric history of the star from 1898.Comment: Translated from Pis'ma Astronomicheskii Zhurnal, Vol. 26, No. 1, 2000, pp. 13-2

Center-of-Mass Properties of the Exciton in Quantum Wells

We present high-quality numerical calculations of the exciton center-of-mass dispersion for GaAs/AlGaAs quantum wells of widths in the range 2-20 nm. The k.p-coupling of the heavy- and light-hole bands is fully taken into account. An optimized center-of-mass transformation enhances numerical convergence. We derive an easy-to-use semi-analytical expression for the exciton groundstate mass from an ansatz for the exciton wavefunction at finite momentum. It is checked against the numerical results and found to give very good results. We also show multiband calculations of the exciton groundstate dispersion using a finite-differences scheme in real space, which can be applied to rather general heterostructures.Comment: 19 pages, 12 figures included, to be published in Phys. Rev.

E-Government in Russia : Plans, Reality, and Future Outlook

Peer reviewe

Tuning strategy for Curie-temperature enhancement in the van der Waals magnet Mn_1+xSb_2−xTe₄

The van-der-Waals antiferromagnetic topological insulator MnBi2Te4 is one of the few materials that realize the sought-after quantum anomalous Hall (QAH) state and quantized surface charge transport. To assess the relevance of its isostructural analog MnSb2Te4 as a potential QAH candidate, the roles of Mn/Sb site mixing and cationic vacancies need to be clarified. Recent findings have shown that non-stoichiometry in Mn1±xSb2∓xTe4 is an efficient tuning knob to achieve a net spin-polarized state and to raise the magnetic ordering temperature well above that of MnBi2Te4. Here, we report the crystal structure, the bulk and the surface magnetism of two new Mn1+xSb2−xTe4 samples: Mn1.08Sb1.92Te4(x ≈ 0.1) with TC = 44 K, and Mn2.01Sb1.19Te4(x ≈ 1.0) with the record TC = 58 K. We quantify the site mixing comprehensively by combining various structural probes on powders and single crystals, and then employ bulk, local (electron spin resonance), and spectroscopic (x-ray magnetic circular dichroism) probes to connect these insights to the magnetism of these materials. We demonstrate that Mn over-stoichiometry up to x = 1.0, in combination with a particular Mn/Sb intermixing pattern and the increasingly three-dimensional character of the magnetic order, push the TC upwards. The tendency towards more robust ferromagnetism mediated by stronger interlayer exchange in Mn1+xSb2−xTe4 upon increasing x is confirmed by bulk magnetometry and by a series of density-functional-theory calculations of model structures with varying intermixing.</p

Effect of molecular and electronic structure on the light harvesting properties of dye sensitizers

The systematic trends in structural and electronic properties of perylene diimide (PDI) derived dye molecules have been investigated by DFT calculations based on projector augmented wave (PAW) method including gradient corrected exchange-correlation effects. TDDFT calculations have been performed to study the visible absorbance activity of these complexes. The effect of different ligands and halogen atoms attached to PDI were studied to characterize the light harvesting properties. The atomic size and electronegativity of the halogen were observed to alter the relaxed molecular geometries which in turn influenced the electronic behavior of the dye molecules. Ground state molecular structure of isolated dye molecules studied in this work depends on both the halogen atom and the carboxylic acid groups. DFT calculations revealed that the carboxylic acid ligands did not play an important role in changing the HOMO-LUMO gap of the sensitizer. However, they serve as anchor between the PDI and substrate titania surface of the solar cell or photocatalyst. A commercially available dye-sensitizer, ruthenium bipyridine (RuBpy), was also studied for electronic and structural properties in order to make a comparison with PDI derivatives for light harvesting properties. Results of this work suggest that fluorinated, chlorinated, brominated, and iyodinated PDI compounds can be useful as sensitizers in solar cells and in artificial photosynthesis.Comment: Single pdf file, 14 pages with 7 figures and 4 table

Host model uncertainties in aerosol radiative forcing estimates: results from the AeroCom Prescribed intercomparison study

Simulated multi-model “diversity” in aerosol direct radiative forcing estimates is often perceived as a measure of aerosol uncertainty. However, current models used for aerosol radiative forcing calculations vary considerably in model components relevant for forcing calculations and the associated “host-model uncertainties” are generally convoluted with the actual aerosol uncertainty. In this AeroCom Prescribed intercomparison study we systematically isolate and quantify host model uncertainties on aerosol forcing experiments through prescription of identical aerosol radiative properties in twelve participating models. Even with prescribed aerosol radiative properties, simulated clear-sky and all-sky aerosol radiative forcings show significant diversity. For a purely scattering case with globally constant optical depth of 0.2, the global-mean all-sky top-of-atmosphere radiative forcing is −4.47Wm−2 and the inter-model standard deviation is 0.55Wm−2, corresponding to a relative standard deviation of 12 %. For a case with partially absorbing aerosol with an aerosol optical depth of 0.2 and single scattering albedo of 0.8, the forcing changes to 1.04Wm−2, and the standard deviation increases to 1.01W−2, corresponding to a significant relative standard deviation of 97 %. However, the top-of-atmosphere forcing variability owing to absorption (subtracting the scattering case from the case with scattering and absorption) is low, with absolute (relative) standard deviations of 0.45Wm−2 (8 %) clear-sky and 0.62Wm−2 (11 %) all-sky. Scaling the forcing standard deviation for a purely scattering case to match the sulfate radiative forcing in the Aero- Com Direct Effect experiment demonstrates that host model uncertainties could explain about 36% of the overall sulfate forcing diversity of 0.11Wm−2 in the AeroCom Direct Radiative Effect experiment