30 research outputs found
Photoexcited transients in disordered semiconductors: Quantum coherence at very short to intermediate times
We study theoretically electron transients in semiconductor alloys excited by
light pulses shorter than 100 femtoseconds and tuned above the absorption edge
during and shortly after the pulse, when disorder scattering is dominant.
We use non-equilibrium Green functions employing the field-dependent
self-consistent Born approximation. The propagators and the particle
correlation function are obtained by a direct numerical solution of the Dyson
equations in differential form. For the purely elastic scattering in our model
system the solution procedures for the retarded propagator and for the
correlation function can be decoupled.The propagator is used as an input in
calculating the correlation function. Numerical results combined with a
cumulant expansion permit to separate in a consistent fashion the dark and the
induced parts of the self-energy. The dark behavior reduces to propagation of
strongly damped quasi-particles; the field induced self-energy leads to an
additional time non-local coherence. The particle correlation function is
formed by a coherent transient and an incoherent back-scattered component. The
particle number is conserved only if the field induced coherence is fully
incorporated. The transient polarization and the energy balance are also
obtained and interpreted.Comment: Accepted for publication in Phys. Rev. B; 37 pages,17 figure
Theory of band gap bowing of disordered substitutional II-VI and III-V semiconductor alloys
For a wide class of technologically relevant compound III-V and II-VI
semiconductor materials AC and BC mixed crystals (alloys) of the type
A(x)B(1-x)C can be realized. As the electronic properties like the bulk band
gap vary continuously with x, any band gap in between that of the pure AC and
BC systems can be obtained by choosing the appropriate concentration x, granted
that the respective ratio is miscible and thermodynamically stable. In most
cases the band gap does not vary linearly with x, but a pronounced bowing
behavior as a function of the concentration is observed. In this paper we show
that the electronic properties of such A(x)B(1-x)C semiconductors and, in
particular, the band gap bowing can well be described and understood starting
from empirical tight binding models for the pure AC and BC systems. The
electronic properties of the A(x)B(1-x)C system can be described by choosing
the tight-binding parameters of the AC or BC system with probabilities x and
1-x, respectively. We demonstrate this by exact diagonalization of finite but
large supercells and by means of calculations within the established coherent
potential approximation (CPA). We apply this treatment to the II-VI system
Cd(x)Zn(1-x)Se, to the III-V system In(x)Ga(1-x)As and to the III-nitride
system Ga(x)Al(1-x)N.Comment: 14 pages, 10 figure
Electron-Hole Correlations and Optical Excitonic Gaps in Quantum-Dot Quantum Wells: Tight-Binding Approach
Electron-hole correlation in quantum-dot quantum wells (QDQW's) is
investigated by incorporating Coulomb and exchange interactions into an
empirical tight-binding model. Sufficient electron and hole single-particle
states close to the band edge are included in the configuration to achieve
convergence of the first spin-singlet and triplet excitonic energies within a
few meV. Coulomb shifts of about 100 meV and exchange splittings of about 1 meV
are found for CdS/HgS/CdS QDQW's (4.7 nm CdS core diameter, 0.3 nm HgS well
width and 0.3 nm to 1.5 nm CdS clad thickness) which have been characterized
experimentally by Weller and co-workers [ D. Schooss, A. Mews, A. Eychmuller,
H. Weller, Phys. Rev. B, 49, 17072 (1994)]. The optical excitonic gaps
calculated for those QDQW's are in good agreement with the experiment.Comment: 3 figures, to appear in Phys.Rev.
Multiband tight-binding theory of disordered ABC semiconductor quantum dots: Application to the optical properties of alloyed CdZnSe nanocrystals
Zero-dimensional nanocrystals, as obtained by chemical synthesis, offer a
broad range of applications, as their spectrum and thus their excitation gap
can be tailored by variation of their size. Additionally, nanocrystals of the
type ABC can be realized by alloying of two pure compound semiconductor
materials AC and BC, which allows for a continuous tuning of their absorption
and emission spectrum with the concentration x. We use the single-particle
energies and wave functions calculated from a multiband sp^3 empirical
tight-binding model in combination with the configuration interaction scheme to
calculate the optical properties of CdZnSe nanocrystals with a spherical shape.
In contrast to common mean-field approaches like the virtual crystal
approximation (VCA), we treat the disorder on a microscopic level by taking
into account a finite number of realizations for each size and concentration.
We then compare the results for the optical properties with recent experimental
data and calculate the optical bowing coefficient for further sizes
Luminescence spectra and kinetics of disordered solid solutions
We have studied both theoretically and experimentally the luminescence spectra and kinetics of crystalline, disordered solid solutions after pulsed excitation. First, we present the model calculations of the steady-state luminescence band shape caused by recombination of excitons localized in the wells of random potential induced by disorder. Classification of optically active tail states of the main exciton band into two groups is proposed. The majority of the states responsible for the optical absorption corresponds to the group of extended states belonging to the percolation cluster, whereas only a relatively small group of “radiative” states forms the steady-state luminescence band. The continuum percolation theory is applied to distinguish the “radiative” localized states, which are isolated in space and have no ways for nonradiative transitions along the tail states. It is found that the analysis of the exciton-phonon interaction gives the information about the character of the localization of excitons. We have shown that the model used describes quite well the experimental cw spectra of CdS(1−c)Sec and ZnSe(1−c)Tec solid solutions. Further, the experimental results are presented for the temporal evolution of the luminescence band. It is shown that the changes of band shape with time come from the interplay of population dynamics of extended states and spatially isolated “radiative” states. Finally, the measurements of the decay of the spectrally integrated luminescence intensity at long delay times are presented. It is shown that the observed temporal behavior can be described in terms of relaxation of separated pairs followed by subsequent exciton formation and radiative recombination. Electron tunneling processes are supposed to be responsible for the luminescence in the long-time limit at excitation below the exciton mobility edge. At excitation by photons with higher energies the diffusion of electrons can account for the observed behavior of the luminescence
Whole-genome sequencing reveals host factors underlying critical COVID-19
Critical COVID-19 is caused by immune-mediated inflammatory lung injury. Host genetic variation influences the development of illness requiring critical care1 or hospitalization2,3,4 after infection with SARS-CoV-2. The GenOMICC (Genetics of Mortality in Critical Care) study enables the comparison of genomes from individuals who are critically ill with those of population controls to find underlying disease mechanisms. Here we use whole-genome sequencing in 7,491 critically ill individuals compared with 48,400 controls to discover and replicate 23 independent variants that significantly predispose to critical COVID-19. We identify 16 new independent associations, including variants within genes that are involved in interferon signalling (IL10RB and PLSCR1), leucocyte differentiation (BCL11A) and blood-type antigen secretor status (FUT2). Using transcriptome-wide association and colocalization to infer the effect of gene expression on disease severity, we find evidence that implicates multiple genes—including reduced expression of a membrane flippase (ATP11A), and increased expression of a mucin (MUC1)—in critical disease. Mendelian randomization provides evidence in support of causal roles for myeloid cell adhesion molecules (SELE, ICAM5 and CD209) and the coagulation factor F8, all of which are potentially druggable targets. Our results are broadly consistent with a multi-component model of COVID-19 pathophysiology, in which at least two distinct mechanisms can predispose to life-threatening disease: failure to control viral replication; or an enhanced tendency towards pulmonary inflammation and intravascular coagulation. We show that comparison between cases of critical illness and population controls is highly efficient for the detection of therapeutically relevant mechanisms of disease
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Effective masses and optical matrix elements in semiconductor superlattices
A novel analytic approach for calculating superlattice effective masses both perpendicular and parallel to the layer planes is summarized. The approach is based on the crystalline oscillator strength (“f−”) sum rule and the envelope function approximation. Applications to
GaAs
Ga
1−x
Al
x
As
and
HgTe
CdTe
yield excellent agreement with experiment for a conduction : valence band offset ratio of 70:30 and a valence band offset near zero, respectively