Heavy-hole band splitting observed in mobility spectrum of p-type InAs grown on GaAs substrate
Jaroslaw Wrobel, Gilberto Umana-Membreno, Jacek Boguski, Dariusz Sztenkiel, Pawel Piotr Michalowski, Piotr Martyniuk, Lorenzo Faraone, Jerzy Wrobel, Antoni Rogalski
High quality berylium doped InAs layer grown by MBE on GaAs substrate has been examined via magnetotransport measurements and high resolution quantitative mobility spectrum analysis in the range from 5 to 300 K and up to 15 T magnetic field. The layer homogenity and dopant concentration has been proofed via HR-SIMS. The results shew four channel conductivity and essential splitting of the most populated holelike channel below 55 K. The multilayer model concluded from the QMSA results has been compared with nextnano simulation.
We investigate the electronic structure of the InAs/InP quantum dots using an atomistic pseudopotential method and compare them to those of the InAs/GaAs QDs. We show that even though the InAs/InP and InAs/GaAs dots have the same dot material, their electronic structure differ significantly in certain aspects, especially for holes: (i) The hole levels have a much larger energy spacing in the InAs/InP dots than in the InAs/GaAs dots of corresponding size. (ii) Furthermore, in contrast with the InAs/GaAs dots, where the sizeable hole $p$, $d$ intra-shell level splitting smashes the energy level …
We report on the growth of axial InAs-on-GaAs nanowire heterostructures on silicon by molecular beam epitaxy using 20 nm diameter Au catalysts. First, the growth parameters of the GaAs nanowire segment were optimized to achieve a pure wurtzite crystal structure. Then, we developed a two-step growth procedure to enhance the yield of vertical InAs-on-GaAs nanowires. We achieved 90% of straight InAs-on-GaAs nanowires by further optimizing the growth parameters. We investigated the composition change at the interface by energy dispersive X-ray spectroscopy and the nanowire crystal structure by tra…
We present a comprehensive study of the optical properties of InAs/InP self-assembled quantum dots (QDs) using an empirical pseudopotential method and configuration interaction treatment of the many-particle effects. The results are compared to those of InAs/GaAs QDs. The main results are: (i) The alignment of emission lines of neutral exciton, charged exciton and biexciton in InAs/InP QDs is quite different from that in InAs/GaAs QDs. (ii) The hidden correlation in InAs/InP QDs is 0.7 - 0.9 meV, smaller than that in InAs/GaAs QDs. (iii) The radiative lifetimes of neutral exciton, charged exci…
Using a single-particle atomistic pseudopotential method followed by a many-particle configuration interaction method, we investigate the geometry, electronic structure and optical transitions of a self-assembled InAs/GaAs quantum ring (QR), changing its shape continously from a lens-shaped quantum dot (QD) to a nearly one dimensional ring. We find that the biaxial strain in the ring is strongly asymmetric in the plane perpendicular to the QR growth direction, leading to giant optical anisotropy.
The energy spectrum of vacancies in n-type bulk crystals of undoped arsenides: InAs, GaAs, CdSnAs2 and CdGeAs2 has been investigated upon the data on pressure and temperature dependences of kinetic coefficients. It is concluded, that deep donor levels correspond to native vacancies of arsenic in these semiconductor materials. The vacancy level positions in the energy scale relatively to the conductivity band edge and their pressure coefficients are defined.
We demonstrate an ab-initio predictive approach to computing the thermal conductivity ($κ$) of InAs/GaAs superlattices (SLs) of varying period, thickness, and composition. Our new experimental results illustrate how this method can yield good agreement with experiment when realistic composition profiles are used as inputs for the theoretical model. Due to intrinsic limitations to the InAs thickness than can be grown, bulk-like SLs show limited sensitivity to the details of their composition profile, but the situation changes significantly when finite-thickness effects are considered. If In seg…
We have investigated the band-gap pressure coefficients of self-assembled InAs/GaAs quantum dots by calculating 17 systems with different quantum dot shape, size, and alloying profile using atomistic empirical pseudopotential method within the ``strained linear combination of bulk bands'' approach. Our results confirm the experimentally observed significant reductions of the band gap pressure coefficients from the bulk values. We show that the nonlinear pressure coefficients of the bulk InAs and GaAs are responsible for these reductions. We also find a rough universal pressure coefficient vers…
Using 3D k.p calculation including strain and piezoelectricity we predict variation of electronic and optical properties of InAs/GaAs quantum dots (QDs) with the substrate orientation. The QD transition energies are obtained for high index substrates [11k], where k = 1,2,3 and are compared with [001]. We find that the QD size in the growth direction determines the degree of influence of the substrate orientation: the flatter the dots, the larger the difference from the reference [001] case.
Precise lattice parameter measurements in single crystals are achievable, in principle, by X-ray multiple diffraction (MD) experiments. Tiny sample misalignments can compromise systematic usage of MD in studies where accuracy is an important issue. In this work, theoretical treatment and experimental methods for correcting residual misalignment errors are presented and applied to probe the induced strain of buried InAs quantum dots on GaAs (001) substrates.
Structures with self-organised InAs quantum dots in a GaAs matrix were grown by the low pressure metal-organic vapour phase epitaxy (LP-MOVPE) technique. Photoluminescence in combination with photomodulated reflectance spectroscopy were used as the main characterisation methods for the growth optimisation. Results show that photoreflectance spectroscopy is an excellent tool for characterisation of QD structures wetting layers (thickness and composition) and for identification of spacers in vertically stacked QDs structures.
We explore the Bi-surfactant-directed self-assembly and structure of InAs quantum dots grown on GaAs(110) by molecular beam epitaxy. The addition of a Bi flux during InAs deposition changes the InAs growth mode from two-dimensional (2D) Frank-van der Merwe to Stranski-Krastanov, resulting in the formation of three-dimensional (3D) InAs islands on the surface. Furthermore, exposing static InAs 2D layers to Bi induces a rearrangement of the strained layer into 3D islands. We explore the effect of varying the InAs thickness and Bi flux for these two growth approaches, observing a critical thickne…
We use a many-body, atomistic empirical pseudopotential approach to predict the multi-exciton emission spectrum of a lens shaped InAs/GaAs self-assembled quantum dot. We discuss the effects of (i) The direct Coulomb energies, including the differences of electron and hole wavefunctions, (ii) the exchange Coulomb energies and (iii) correlation energies given by a configuration interaction calculation. Emission from the groundstate of the $N$ exciton system to the $N-1$ exciton system involving $e_0\to h_0$ and $e_1\to h_1$ recombinations are discussed. A comparison with a simpler single-band, e…
Atomistic pseudopotential plus configuration interaction calculations of the energy needed to charge dots by either electrons or holes are described, and contrasted with the widely used, but highly simplified two-dimensional parabolic effective mass approximation (2D-EMA). Substantial discrepancies are found, especially for holes, regarding the stable electronic configuration and filling sequence which defies both Hund's rule and the Aufbau principle.
We report on photoluminescence measurements of vertically stacked InAs/GaAs quantum dots grown by molecular-beam epitaxy on focused ion beam patterned hole arrays with varying array spacing. Quantum dot emission at 1.24 eV was observed only on patterned regions, demonstrating preferential nucleation of optically-active dots at desired locations and below the critical thickness for dot formation at these growth conditions. Photoluminescence measurements as a function of varying focused ion beam irradiated hole spacing showed that the quantum dot emission intensity increased with decreasing arra…
A systematic variation of the exciton fine-structure splitting with quantum dot size in single InAs/GaAs quantum dots grown by metal-organic chemical vapor deposition is observed. The splitting increases from -80 to as much as 520 $μ$eV with quantum dot size. A change of sign is reported for small quantum dots. Model calculations within the framework of eight-band k.p theory and the configuration interaction method were performed. Different sources for the fine-structure splitting are discussed, and piezoelectricity is pinpointed as the only effect reproducing the observed trend.
We investigate exciton spin memory in individual InAs/GaAs self-assembled quantum dots via optical alignment and conversion of exciton polarization in a magnetic field. Quasiresonant phonon-assisted excitation is successfully employed to define the initial spin polarization of neutral excitons. The conservation of the linear polarization generated along the bright exciton eigenaxes of up to 90% and the conversion from circular- to linear polarization of up to 47% both demonstrate a very long spin relaxation time with respect to the radiative lifetime. Results are quantitatively compared with a…
The near-field scanning optical microscopy images of excitonic wavefunctions in self-assembled InAs/GaAs quantum dots are calculated using an empirical pseudopotential method, followed by the configuration interaction (CI) treatment of many-particle effects. We show the wavefunctions of neutral exciton $X^0$ of different polarizations, and compare them to those of the biexciton $XX$ and the charged excitons $X^+$ and $X^-$. We further show that the exciton $X(P_h \to S_e)$ transition which is forbidden in the far-field photoluminescence has comparable intensities to that of $X(S_h \to S_e)$ tr…
A systematic study of the impact of annealing on the electronic properties of single InAs/GaAs quantum dots (QDs) is presented. We are able to record single QD cathodoluminescence spectra and trace the evolution of one and the same QD over several steps of annealing. A systematic reduction of the excitonic fine-structure splitting is reported. In addition the binding energies of different excitonic complexes change dramatically. The results are interpreted in terms of a change of electron and hole wavefunction shape and mutual position.
Systematic time-resolved measurements on neutral and charged excitonic complexes (X, XX, X+, and XX+) of 26 different single InAs/GaAs quantum dots are reported. The ratios of the decay times are discussed in terms of the number of transition channels determined by the excitonic fine structure and a specific transition time for each channel. The measured ratio for the neutral complexes is 1.7 deviating from the theoretically predicted value of 2. A ratio of 1.5 for the positively charged exciton and biexciton decay time is predicted and exactly matched by the measured ratio indicating identica…
The electronic structure of an infinite 1D array of vertically coupled InAs/GaAs strained quantum dots is calculated using an eight-band strain-dependent k-dot-p Hamiltonian. The coupled dots form a unique quantum wire structure in which the miniband widths and effective masses are controlled by the distance between the islands, d. The miniband structure is calculated as a function of d, and it is shown that for d>4 nm the miniband is narrower than the optical phonon energy, while the gap between the first and second minibands is greater than the optical phonon energy. This leads to decreased …
We report the first quasiparticle calculations of the newly observed wurtzite polymorph of InAs and GaAs. The calculations are performed in the GW approximation using plane waves and pseudopotentials. For comparison we also report the study of the zinc-blende phase within the same approximations. In the InAs compound the In 4d electrons play a very important role: whether they are frozen in the core or not, leads either to a correct or a wrong band ordering (negative gap) within the Local Density Appproximation (LDA). We have calculated the GW band structure in both cases. In the first approac…
We report the growth of InAs$_{1-x}$Sb$_{x}$ nanowires ($0\leq x \leq 0.15$) grown by catalyst-free molecular beam epitaxy on silicon (111) substrates. We observed a sharp decrease of stacking fault density in the InAs$_{1-x}$Sb$_{x}$ nanowire crystal structure with increasing antimony content. This decrease leads to a significant increase in the field-effect mobility, this being more than three times greater at room temperature for InAs$_{0.85}$Sb$_{0.15}$ nanowires than InAs nanowires.
We adopt an atomistic pseudopotential description of the electronic structure of self-assembled, lens shaped InAs quantum dots within the ``linear combination of bulk bands'' method. We present a detailed comparison with experiment, including quantites such as the single particle electron and hole energy level spacings, the excitonic band gap, the electron-electron, hole-hole and electron hole Coulomb energies and the optical polarization anisotropy. We find a generally good agreement, which is improved even further for a dot composition where some Ga has diffused into the dots.
Mulheran and Blackman have provided a simple and clear explanation of the scale invariance of the island size distribution at the early stage of film growth [Phil. Mag. Lett. 72, 55 (1995)]. Their theory is centered on the concept of capture zone properly identified by Voronoi cell. Here we substantiate experimentally their theory by studying the scale invariance of InAs quantum dots (QDs) forming on GaAs(001) substrate. In particular, we show that the volume distributions of QDs well overlap the corrisponding experimental distributions of the Voronoi-cell areas. The interplay between the expe…
We present experimental magnetotunneling results and atomistic pseudopotential calculations of quasiparticle electron and hole wave functions of self-assembled InAs/GaAs quantum dots. The combination of a predictive theory along with the experimental results allows us to gain direct insight into the quantum states. We monitor the effects of (i) correlations, (ii) atomistic symmetry and (iii) piezoelectricity on the confined carriers and (iv) observe a peculiar charging sequence of holes that violates the Aufbau principle.
We analyze the shape and position of heteroepitaxial InAs islands on the top face of cylindrical GaAs(111)A nanopillars experimentally and theoretically. Catalyst-free molecular beam epitaxial growth of InAs at low temperatures on GaAs nanopillars results in InAs islands with diameters < 30 nm exhibiting predominantly rounded triangular in-plane shapes. The islands show a tendency to grow at positions displaced from the center towards the pillar edge. Atomistic molecular statics simulations evidence that triangular-prismatic islands centered to the pillar axis with diameters smaller than that …
A systematic study of the impact of annealing on the electronic properties of single InAs/GaAs quantum dots (QDs) is presented. Single QD cathodoluminescence spectra are recorded to trace the evolution of one and the same QD over several steps of annealing. A substantial reduction of the excitonic fine-structure splitting upon annealing is observed. In addition, the binding energies of different excitonic complexes change dramatically. The results are compared to model calculations within eight-band k.p theory and the configuration interaction method, suggesting a change of electron and hole w…
We investigate the interband transitions in several ensembles of self-assembled InAs/GaAs quantum dots by using photoluminescence excitation spectroscopy under strong magnetic field. Well defined resonances are observed in the spectra. A strong anticrossing between two transitions is observed in all samples, which cannot be accounted for by a purely excitonic model. The coupling between the mixed exciton-LO phonon states is calculated using the Fröhlich Hamiltonian. The excitonic polaron energies as well as the oscillator strengths of the interband transitions are determined. An anticrossing i…
Heteroepitaxy on nanopatterned substrates is a means of defect reduction at semiconductor heterointerfaces by exploiting substrate compliance and enhanced elastic lattice relaxation resulting from reduced dimensions. We explore this possibility in the InAs/GaAs(111)A system using a combination of nanosphere lithography and reactive ion etching of the GaAs(111)A substrate for nano-patterning of the substrate, yielding pillars with honeycomb and hexagonal arrangements and varied nearest neighbor distances. Substrate patterning is followed by MBE growth of InAs at temperatures of 150 - 350 C and …
The spin polarization of electrons trapped in InAs self-assembled quantum dot ensembles is investigated. A statistical approach for the population of the spin levels allows one to infer the spin polarization from the measure values of the addition energies. From the magneto-capacitance spectroscopy data, the authors found a fully polarized ensemble of electronic spins above 10 T when $\mathbf{B}\parallel[001]$ and at 2.8 K. Finally, by including the g-tensor anisotropy the angular dependence of spin polarization with the magnetic field $\mathbf{B}$ orientation and strength could be determined.
We present first-principles calculations of the impact ionization rate (IIR) in the $GW$ approximation ($GW$A) for semiconductors. The IIR is calculated from the quasiparticle (QP) width in the $GW$A, since it can be identified as the decay rate of a QP into lower energy QP plus an independent electron-hole pair. The quasiparticle self-consistent $GW$ method was used to generate the noninteracting hamiltonian the $GW$A requires as input. Small empirical corrections were added so as to reproduce experimental band gaps. Our results are in reasonable agreement with previous work, though we observ…
The equilibrium shape of strained InAs quantum dots grown epitaxially on a GaAs(001) substrate is derived as a function of volume. InAs surface energies are calculated within density-functional theory, and a continuum approach is applied for the elastic relaxation energies.
Excitonic polaron is directly demonstrated for the first time in InAs/GaAs quantum dots with photoluminescence method. A new peak ($s'$) below the ground state of exciton ($s$) comes out as the temperature varies from 4.2 K to 285 K, and a huge anticrossing energy of 31 meV between $s'$ and $s$ is observed at 225 K, which can only be explained by the formation of excitonic polaron. The results also provide a strong evidence for the invalidity of Huang-Rhys formulism in dealing with carrier-longitudinal optical phonon interaction in quantum dot. Instead, we propose a simple two-band model, and …
Using ab initio methods based on the density functional theory, we investigate the segregation and formation energies for various dopants (Si, Be, Zn, Sn), commonly used to obtain p- or ntype conductivity in GaAs and InAs nanowires. The distribution of Au and O atoms, which may be unintentionally incorporated during the wire growth, is also studied. The calculations performed for nanowires of zinc blende and wurtzite structure show that the distribution of most of the impurities depends on the crystal structure of the wires. For example, it is shown that the same growth conditions can lead to …
We show that a diatomic dot molecule made of two identical, vertically stacked, strained InAs/GaAs self-assembled dots exhibits an asymmetry in its single-particle and may-particle wavefunctions. The single-particle wave function is asymmetric due to the inhomogeneous strain, while the asymmetry of the many-particle wavefunctions is caused by the correlation induced localization: the lowest singlet $^1Σ_g$ and triplet $^3Σ$ states show that the two electrons are each localized on different dots within the molecule, for the next singlet states $^1Σ_u$ both electrons are localized on the same (b…
A comprehensive study of the exchange interaction between charge carriers in self-organized InAs/GaAs quantum dots is presented. Single quantum-dot cathodoluminescence spectra of quantum dots of different sizes are analyzed. Special attention is paid to the energetic structure of the charged excited exciton (hot trion). A varying degree of intermixing within the hot trion states leads to varying degrees of polarization of the corresponding emission lines. The emission characteristics change from circularly polarized for small quantum dots to elliptically polarized for large quantum dots. The f…
Eliminating the fine structure splitting (FSS) of excitons in self-assembled quantum dots (QDs) is essential to the generation of high quality entangled photon pairs. It has been shown that the FSS has a lower bound under uniaxial stress. In this letter, we show that the FSS of excitons in a general self-assembled InGaAs/GaAs QD can be fully suppressed via combined stresses along the [110] and [010] directions. The result is confirmed by atomic empirical pseudopotential calculations. For all the QDs we studied, the FSS can be tuned to be vanishingly small ($<$ 0.1 $μ$eV), which is sufficient s…
We report on the micro-photoluminescence spectroscopy of InAs/GaAs quantum dots (QD) doped by a single Mn atom in a magnetic field either longitudinal or perpendicular to the optical axis. In both cases the spectral features of positive trion (X+) are found to split into strongly circularly polarized components, an effect very surprising in a perpendicular magnetic field. The field-induced splitting is ascribed to the transverse Zeeman splitting of the neutral acceptor complex A0 issued by the Mn impurity, whereas the circular optical selection rules result from the p-d exchange which acts as …
The properties of a semiconductor get drastically modified when the crystal point group symmetry is broken under an arbitrary strain. We investigate the family of semiconductors consisting of GaAs, GaSb, InAs and InSb, considering their electronic band structure and deformation potentials subject to various strains based on hybrid density functional theory. Guided by these first-principles results, we develop strain-compliant local pseudopotentials for use in the empirical pseudopotential method (EPM). We demonstrate that the newly proposed empirical pseudopotentials perform well close to band…
As a system with both profound physics and promising application potentials, the strain-induced self-assembled semiconductor nanostructures have been investigated for decades of years. The optical and electrical properties of this system are mainly determined by the nanostructures, but can be greatly affected by the generally existent two dimensional structures from which the nanostructures evolve, the so called wetting layer (WL). The WL configurations can be varied with different growth conditions, and further influence the nanostructure morphology and properties. This is a reviewing article…
Using three-dimensional k.p calculation including strain and piezoelectricity, we showed that the size of the quantum dot (QD) in the growth direction determines the influence of the (In,Ga)As capping layer on the optical properties of [11k] grown InAs QDs, where k=1,2,3. For flat dots, increase of In concentration in the capping layer leads to a decrease of the transition energy, as is the case of [001] grown QDs, whereas for large dots an increase of the In concentration in the capping layer is followed by an increase of the transition energy up to a critical concentration of In, after which…
We present an atomistic investigation of the influence of strain on the electronic properties of quantum dots (QD's) within the empirical $s p^{3} s^{*}$ 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 $10^{5}$ 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 m…
Ultra-precise lattice parameter measurements in single crystals are achievable, in principle, by X-ray multiple diffraction (XMD) experiments. Tiny sample misalignments have hindered the systematic usage of XMD in studies where accuracy is an important issue. In this work, theoretical basement and methods for correcting general misalignment errors are presented. As a practical demonstration, the induced strain of buried InAs quantum dots grown on GaAs (001) substrates is determined. Such a demonstration confirms the possibility to investigate epitaxial nanostructures via the strain field that …
Geometric phase analysis has been applied to high resolution aberration corrected (scanning) transmission electron microscopy images of InAs/GaAs quantum dot (QD) materials. We show quantitatively how the lattice mismatch induced strain varies on the atomic scale and tetragonally distorts the lattice in a wide region that extends several nanometers into the GaAs spacer layer below and above the QDs. Finally, we show how V-shaped dislocations originating at the QD/GaAs interface efficiently remove most of the lattice mismatch induced tetragonal distortions in and around the QD.
We derive analytically the change of exciton fine structure splitting (FSS) under the external stresses in the self-assembled InAs/GaAs quantum dots using the Bir-Pikus model. We find that the FSS change is mainly due to the strain induced valence bands mixing and valence-conduction band coupling. The exciton polarization angle under strain are determined by the argument of the electron-hole off-diagonal exchange integrals. The theory agrees well with the empirical pseudopotential calculations.
Self-assembled InAs quantum dots (QDs) grown on GaAs(001) surface by molecular beam epitaxy under continuous and growth-interruption modes exhibit two families of QDs, quasi-3D (Q3D) and 3D QDs, whose volume density evolution is quantitatively described by a rate-equation kinetic model. The volume density of small Q3D QDs decreases exponentially with time during the interruption, while the single-dot mean volume of the large QDs increases by Ostwald ripening. The kinetics of growth involves conversion of quasi-3D to 3D QDs at a rate determined by superstress and participation of the wetting la…
In this work the intersubband electronic properties of two laterally coupled dome-shaped InAs/GaAs quantum dots were investigated. The envelope functions and eigenenergies were calculated as function of distance between the dots. The coupling between the dots was studied using transition lifetime between the dots. The results showed that in close distances (smaller than 3 nm) the quantum dots are coupled and by increasing the distance transition lifetime fall down drastically and the dots become uncoupled.
We have investigated in-situ Si doping of InAs nanowires grown by molecular beam epitaxy from gold seeds. The effectiveness of n-type doping is confirmed by electrical measurements showing an increase of the electron density with the Si flux. We also observe an increase of the electron density along the nanowires from the tip to the base, attributed to the dopant incorporation on the nanowire facets whereas no detectable incorporation occurs through the seed. Furthermore the Si incorporation strongly influences the lateral growth of the nanowires without giving rise to significant tapering, re…
We present an atomistic study of the strain field, the one-particle electronic spectrum and the oscillator strength of the fundamental optical transition in chemically disordered In$_{x}$Ga$_{1-x}$As pyramidal quantum dots (QDs). Interdiffusion across the interfaces of an originally ``pure'' InAs dot buried in a GaAs matrix is simulated through a simple model, leading to atomic configurations where the abrupt hetero-interfaces are replaced by a spatially inhomogeneous composition profile $x$. Structural relaxation and the strain field calculations are performed through the Keating valence forc…
The influences of Si sheet doping levels on the properties of InAs/GaAs quantum dots (QDs) are investigated by atomic force microscopy (AFM) and photoluminescence (PL). AFM measurements reveal that Si sheet doping doesn't change the morphology of InAs QDs. Conductive AFM exhibits a quick current decrease when the Si doping density reaches 5\times1011cm-2. PL measurements show that the Si doping can significantly enhance the PL intensity. The PL peak intensity of InAs QDs doped to 5\times1011cm-2 is increased about thirty-five times from that of the undoped ones at 300K. The results observed he…
The structural and electronic properties of the wurtzite phase of the InAs and GaAs compounds are, for the first time, studied within the framework of Density Functional Theory (DFT). We used the full-potential linearized augmented plane wave (LAPW) method and the local density approximation (LDA) for exchange and correlation and compared the results to the corresponding pseudopotential calculations. From the structural optimization of the wurtzite polymorph of InAs we found that the c/a ratio is somewhat greater than the ideal one and that the internal parameter u/c has a value slightly small…
In this work we perform a first-principles study of the adsorption properties of an In adatom deposited on 1.75 monolayers (ML) InAs, forming a wetting layer on GaAs$(001)$ with the $α_2 (2\times4)$ or $β_2 (2\times4)$ reconstruction. The structural properties of these reconstructions have been studied: we determine the equilibrium geometry of the surfaces and their stability for various growth conditions. We have then carried out a detailed study of the potential energy surface (PES) for an In adsorbate, finding the minima and the saddle points. The main characteristics of the PES and the bon…
This work presents an analysis of the electronic and optical properties of InAs/GaAs columnar quantum dots (QDs) by performing multi-million-atom tight-binding simulations. The plots of the polarisation-dependent ground state optical transition strengths predict that a nearly zero degree of polarisation can be achieved at 1550 nm emission/absorption wavelength by engineering the number of QD layers in a columnar QD. These results are promising for the design of optical devices requiring polarisation insensitive optical response such as semiconductor optical amplifiers.
Using the mechano-optical stress sensor technique, we observe a counter-intuitive reduction of the compressive stress when InAs is deposited on GaAs (001) during growth of quantum posts. Through modelling of the strain fields, we find that such anomalous behaviour can be related to the strain-driven detachment of In atoms from the crystal and their surface diffusion towards the self-assembled nanostructures.
The two- to three-dimensional growth transition in the InAs/GaAs(001) heterostructure has been investigated by atomic force microscopy. The kinetics of the density of three dimensional quantum dots evidences two transition thresholds at 1.45 and 1.59 ML of InAs coverage, corresponding to two separate families, small and large. Based on the scaling analysis, such families are characterized by different mechanisms of aggregation, involving the change of the critical nucleus size. Remarkably, the small ones give rise to a wealth of "monomers" through the erosion of the step edges, favoring the ex…
We study the orbital and spin configurations of up to six electrons or holes charged into self-assembled InAs/GaAs quantum dots via single-particle pseudopotential and many-particle configuration interaction method. We find that while the charging of {\it electrons} follows both Hund's rule and the Aufbau principle, the charging of {\it holes} follows a non-trivial charging pattern which violates both the Aufbau principle and Hund's rule, and is robust against the details of the quantum dot size. The predicted hole charging sequence offers a new interpretation of recent charging experiments.
We report significant deviations from the usual quadratic dependence of the ground state interband transition energy on applied electric fields in InAs/GaAs self-assembled quantum dots. In particular, we show that conventional second-order perturbation theory fails to correctly describe the Stark shift for electric field below $F = 10$ kV/cm in high dots. Eight-band ${\bf k}\cdot{\bf p}$ calculations demonstrate this effect is predominantly due to the three-dimensional strain field distribution which for various dot shapes and stoichiometric compositions drastically affects the hole ground sta…
