arXiv subjects

Pawel Hawrylak

Publications and source records attributed to Pawel Hawrylak.

At least 37 records · Page 2Linked to original sources

arXiv2020

Accurate and efficient description of interacting carriers in quantum nanostructures by selected configuration interaction and perturbation theory

We present a method to calculate many-body states of interacting carriers in million atom quantum nanostructures based on atomistic tight-binding calculations and a combination of iterative selection of configurations and perturbation theory. This method enables investigations of large excitonic complexes and multi-electron systems with near full configuration interaction accuracy, even though only a small subspace of the full many-body Hilbert space is sampled, thus saving orders of magnitudes in computational resources. Important advantages of this method are that the convergence is controlled by a single parameter, the threshold, and that ground and excited states can be treated on an equal footing. We demonstrate the extreme efficiency of the method by numerical studies of complexes composed of up to 13 excitons, which requires filling of states up to the fourth electronic shell. We find that the method generally converges fast as a function of the threshold, profiting from a significant enhancement due to the perturbative corrections. The role of the choice of single-particle basis states is discussed. It is found that the algorithm converges faster in the Hartree-Fock basis only for highly charged systems, where Coulomb repulsion dominates. Finally, based on the observation that second order perturbative energy corrections only depend on off-diagonal elements of the many-body Hamiltonian, we present a way to accurately calculate many-body states that requires only a relatively small number of Coulomb matrix elements.

cond-mat.mes-hall↗

arXiv2019

The effect of valley, spin and band nesting on the electronic properties of gated quantum dots in a single layer of transition metal dichalcogenides (TMDCs)

We present here results of atomistic theory of electrons confined by metallic gates in a single layer of transition metal dichalcogenides. The electronic states are described by the tight-binding model and computed using a computational box including up to million atoms with periodic boundary conditions and parabolic confining potential due to external gates embedded in it. With this methodology applied to MoS2, we find a twofold degenerate energy spectrum of electrons confined in the two non-equivalent K-valleys by the metallic gates as well as six-fold degenerate spectrum associated with Q-valleys. We compare the electron spectrum with the energy levels of electrons confined in GaAs/GaAlAs and in self-assembled quantum dots. We discuss the role of spin splitting and topological moments on the K and Q valley electronic states in quantum dots with sizes comparable to experiment.

cond-mat.mes-hall↗

arXiv2019

Atomistic theory of electronic and optical properties of InAsP/InP nanowire quantum dots

We present here an atomistic theory of the electronic and optical properties of hexagonal InAsP quantum dots in InP nanowires in the wurtzite phase. These self-assembled quantum dots are unique in that their heights, shapes, and diameters are well known. Using a combined valence-force-field, tight-binding, and configuration-interaction approach we perform atomistic calculations of single-particle states and excitonic, biexcitonic and trion complexes as well as emission spectra as a function of the quantum dot height, diameter and As versus P concentration. The atomistic tight-binding parameters for InAs and InP in the wurtzite crystal phase were obtained by ab initio methods corrected by empirical band gaps. The low energy electron and hole states form electronic shells similar to parabolic or cylindrical quantum confinement, only weakly affected by hexagonal symmetry and As fluctuations. The relative alignment of the emission lines from excitons, trions and biexcitons agrees with that for InAs/InP dots in the zincblende phase in that biexcitons and positive trions are only weakly bound. The random distribution of As atoms leads to dot-to-dot fluctuations of a few meV for the single-particle states and the spectral lines. Due to the high symmetry of hexagonal InAsP nanowire quantum dots the exciton fine structure splitting is found to be small, of the order a few $μ$eV with significant random fluctuations in accordance with experiments.

cond-mat.mes-hall↗

arXiv2019

Theory of atomic scale quantum dots in silicon: dangling bond quantum dots on silicon surface

We present here a theory and a computational tool, Silicon-{\sc Qnano}, to describe atomic scale quantum dots in Silicon. The methodology is applied to model dangling bond quantum dots (DBQDs) created on a passivated H:Si-(100)-(2$\times$1) surface by removal of a Hydrogen atom. The electronic properties of DBQD are computed by embedding it in a computational box of Silicon atoms. The surfaces of the computational box were constructed by using DFT as implemented in {\sc Abinit} program. The top layer was reconstructed by the formation of Si dimers passivated with H atoms while the bottom layer remained unreconstructed and fully saturated with H atoms. The computational box Hamiltonian was approximated by a tight-binding (TB) Hamiltonian by expanding the electron wave functions as a Linear Combination of Atomic Orbitals and fitting the bandstructure to {\it ab-initio} results. The parametrized TB Hamiltonian was used to model large finite Si(100) boxes (slabs) with number of atoms exceeding present capabilities of {\it ab-initio} calculations. The removal of one hydrogen atom from the reconstructed surface resulted in a DBQD state with wave function strongly localized around the Si atom and energy in the silicon bandgap. The DBQD could be charged with zero, one and two electrons. The Coulomb matrix elements were calculated and the charging energy of a two electron complex in a DBQD obtained.

cond-mat.mtrl-sci↗

arXiv2018

Electronic structure, magnetoexcitons and valley polarized electron gas in 2D crystals

We describe here recent work on the electronic properties, magnetoexcitons and valley polarised electron gas in 2D crystals. Among 2D crystals, monolayer $MoS_2$ has attracted significant attention as a direct-gap 2D semiconductor analogue of graphene. The crystal structure of monolayer $MoS_2$ breaks inversion symmetry and results in K valley selection rules allowing to address individual valleys optically. Additionally, the band nesting near Q points is responsible for enhancing the optical response of $MoS_2$.We show that at low energies the electronic structure of $MoS_2$ is well approximated by the massive Dirac Fermion model. We focus on the effect of magnetic field on optical properties of $MoS_2$. We discuss the Landau level structure of massive Dirac fermions in the two non-equivalent valleys and resulting valley Zeeman splitting. The effects of electron-electron interaction on the valley Zeeman splitting and on the magneto-exciton spectrum are described. We show the changes in the absorption spectrum as the self-energy, electron-hole exchange and correlation effects are included. Finally, we describe the valley-polarised electron gas in $WS_2$ and its optical signature in finite magnetic fields.

cond-mat.mes-hall↗

arXiv2018

Depolarization of Electronic Spin Qubits Confined in Semiconductor Quantum Dots

Quantum dots are arguably the best interface between matter spin qubits and flying photonic qubits. Using quantum dot devices to produce joint spin-photonic states requires the electronic spin qubits to be stored for extended times. Therefore, the study of the coherence of spins of various quantum dot confined charge carriers is important both scientifically and technologically. In this study we report on spin relaxation measurements performed on five different forms of electronic spin qubits confined in the very same quantum dot. In particular, we use all optical techniques to measure the spin relaxation of the confined heavy hole and that of the dark exciton - a long lived electron-heavy hole pair with parallel spins. Our measured results for the spin relaxation of the electron, the heavy-hole, the dark exciton, the negative and the positive trions, in the absence of externally applied magnetic field, are in agreement with a central spin theory which attributes the dephasing of the carriers' spin to their hyperfine interactions with the nuclear spins of the atoms forming the quantum dots. We demonstrate that the heavy hole dephases much slower than the electron. We also show, both experimentally and theoretically, that the dark exciton dephases slower than the heavy hole, due to the electron-hole exchange interaction, which partially protects its spin state from dephasing.

cond-mat.mes-hall↗

arXiv2015

Electron-Electron interactions, topological phase and optical properties of a charged artificial benzene ring

We present a theory of the electronic and optical properties of a charged artificial benzene ring (ABR). The ABR is described by the extended Hubbard model solved using exact diagonalization methods in both real and Fourier space as a function of tunneling matrix element t, Hubbard on-site repulsion U and inter-dot interaction V. In the strongly interacting case we present exact analytical results for the spectrum of the hole in a half-filled ABR dressed by spin excitations of remaining electrons. The spectrum is interpreted in terms of the appearance of a topological phase associated with an effective gauge field piercing through the ring. We show that the maximally spin polarized (S=5/2) and maximally spin depolarised (S=1/2) states are the lowest energy, orbitally non degenerate, states. We discuss the evolution of the phase diagram and level crossings as interactions are switched off and the ground state becomes spin non-degenerate but orbitally degenerate S=1/2. We present a theory of optical absorption spectra and show that the evolution of the ground and excited states, level crossings and presence of artificial gauge can be detected optically.

cond-mat.mes-hall↗

arXiv2014

Electron-electron interaction mediated indirect coupling of electron and magnetic ion or nuclear spins in self-assembled quantum dots

We show here the existence of the indirect coupling of electron and magnetic or nuclear ion spins in self-assembled quantum dots mediated by electron-electron interactions. With a single localized spin placed in the center of the dot, only the spins of electrons occupying the zero angular momentum states couple directly to the localized spin. We show that when the electron-electron interactions are included, the electrons occupying finite angular momentum orbitals interact with the localized spin. This effective interaction is obtained using exact diagonalization of the microscopic Hamiltonian as a function of the number of electronic shells, shell spacing, and anisotropy of the electron-Mn exchange interaction. The effective interaction can be engineered to be either ferromagnetic or antiferromagnetic by tuning the parameters of the quantum dot.

cond-mat.mes-hall↗

arXiv2014

Quantum strain sensor with a topological insulator HgTe quantum dot

We present a theory of electronic properties of HgTe quantum dot and propose a strain sensor based on a strain-driven transition from a HgTe quantum dot with inverted bandstructure and robust topologically protected quantum edge states to a normal state without edge states in the energy gap. The presence or absence of edge states leads to large on/off ratio of conductivity across the quantum dot, tunable by adjusting the number of conduction channels in the source-drain voltage window. The electronic properties of a HgTe quantum dot as a function of size and applied strain are described using eight-band kp Luttinger and Bir-Pikus Hamiltonians, with surface states identified with chirality of Luttinger spinors and obtained through extensive numerical diagonalization of the Hamiltonian.

cond-mat.mes-hall↗

arXiv2012

Dynamical Magnetic and Nuclear Polarization in Complex Spin Systems: Semi-magnetic II-VI Quantum Dots

Dynamical magnetic and nuclear polarization in complex spin systems is discussed on the example of transfer of spin from exciton to the central spin of magnetic impurity in a quantum dot in the presence of a finite number of nuclear spins. The exciton is described in terms of the electron and heavy hole spins interacting via exchange interaction with magnetic impurity, via hypeprfine interaction with a finite number of nuclear spins and via dipole interaction with photons. The time-evolution of the exciton, magnetic impurity and nuclear spins is calculated exactly between quantum jumps corresponding to exciton radiative recombination. The collapse of the wavefunction and the refilling of the quantum dot with new spin polarized exciton is shown to lead to build up of magnetization of the magnetic impurity as well as nuclear spin polarization. The competition between electron spin transfer to magnetic impurity and to nuclear spins simultaneous with the creation of dark excitons is elucidated. The technique presented here opens up the possibility of studying optically induced Dynamical Magnetic and Nuclear Polarization in Complex Spin Systems.

cond-mat.mes-hall↗

arXiv2012

Spin textures in strongly coupled electron spin and magnetic or nuclear spin systems in quantum dots

Controlling electron spins strongly coupled to magnetic and nuclear spins in solid state systems is an important challenege in the field of spintronics and quantum computation. We show here that electron droplets with no net spin in semiconductor quantum dots strongly coupled with magnetic ion/nuclear spin systems break down at low temperature and form a non-trivial anti-ferromagnetic spatially ordered spin-texture of magneto-polarons. The spatially ordered combined electron-magnetic ion spin-texture, associated with spontaneous symmetry-breaking in the parity of electronic charge density and magnetization of magnetic ions, emerge from both ab-initio density functional approach to the electronic system coupled with mean-field approximation for the magnetic/nuclear spin system and fully mircoscopic exact diagonalization of small systems. The predicted phase diagram determines the critical temperature as a function of coupling strength and identifies possible phases of the strongly coupled spin system. This prediction may arrest fluctuations in spin system and open the way to control, manipulate and prepare magnetic and nuclear spin ensembles in semiconductor nanostructures.

cond-mat.mes-hall↗

arXiv2011

Theory of electronic properties and quantum spin blockade in a gated linear triple quantum dot with one electron spin each

We present a theory of electronic properties and the spin blockade phenomena in a gated linear triple quantum dot. Quadruple points where four different charge configurations are on resonance, particularly involving (1,1,1) configuration, are considered. In the symmetric case, the central dot is biased to higher energy and a single electron tunnels through the device when (1,1,1) configuration is resonant with (1,0,1),(2,0,1),(1,0,2) configurations. The electronic properties of a triple quantum dot are described by a Hubbard model containing two orbitals in the two unbiased dots and a single orbital in the biased dot. The transport through the triple quantum dot molecule involves both singly and doubly occupied configurations and necessitates the description of the (1,1,1) configuration beyond the Heisenberg model. Exact eigenstates of the triple quantum dot molecule with up to three electrons are used to compute current assuming weak coupling to the leads and non-equilibrium occupation of quantum molecule states obtained from the rate equation. The intra-molecular relaxation processes due to acoustic phonons and cotunneling with the leads are included, and are shown to play a crucial role in the spin blockade effect. We find a quantum interference-based spin blockade phenomenon at low source-drain bias and a distinct spin blockade due to a trap state at higher bias. We also show that, for an asymmetric quadruple point with (0,1,1),(1,1,1,),(0,2,1),(0,1,2) configurations on resonance, the spin blockade is analogous to the spin blockade in a double quantum dot.

cond-mat.mes-hall↗

arXiv2011

Herzberg Circuit and Berry's Phase in Chirality-based Coded Qubit in a Triangular Triple Quantum Dot

We present a theoretical proposal for the Herzberg circuit and controlled accumulation of Berry's phase in a chirality-based coded qubit in a triangular triple quantum dot molecule with one electron spin each. The qubit is encoded in the two degenerate states of a three spin complex with total spin $S=1/2$. Using a Hubbard and Heisenberg model the Herzberg circuit encircling the degeneracy point is realized by adiabatically tuning the successive on-site energies of quantum dots and tunnel couplings across a pair of neighbouring dots. It is explicitly shown that encircling the degeneracy point leads to the accumulation of the geometrical Berrys phase. We show that only triangular but not linear quantum dot molecule allows for the generation of Berry's phase and we discuss a protocol to detect this geometrical phase.

cond-mat.mes-hall↗

arXiv2011

Theory of highly excited semiconductor nanostructures including Auger coupling: exciton-bi-exciton mixing in CdSe nanocrystals

We present a theory of highly excited interacting carriers confined in a semiconductor nanostructure, incorporating Auger coupling between excited states with different number of excitations. The Coulomb matrix elements connecting exciton, bi-exciton and tri-exciton complexes are derived and an intuitive picture of breaking neutral multi-exction complexes into positively and negatively charged multi-exciton complexes is given. The general approach is illustrated by analyzing the coupling of biexciton and exciton in CdSe spherical nanocrystals. The electron and hole states are computed using atomistic $sp^3d^5s^*$ tight binding Hamiltonian including an effective crystal field splitting and surface passivation. For each number of electron-hole pairs the many-body spectrum is computed in the configuration-interaction approach. The low-energy correlated biexciton levels are broken into charged complexes: a hole and a negatively charged trion and an electron and a positively charged trion. Out of a highly excited exciton spectrum a subspace coupled to bi-exciton levels via Auger processes is identified. The interaction between correlated bi-exciton and exciton states is treated using exact diagonalization techniques. This allows to extract the spectral function of the biexciton and relate its characteristic width and amplitude to the characteristic amplitude and timescale of the coherent time evolution of the coupled system. It is shown that this process can be described by the Fermi's Golden Rule only if a fast relaxation of the excitonic subsystem is accounted for.

cond-mat.mes-hall↗

arXiv2011

Greenberger-Horne-Zeilinger States in Quantum Dot Molecule

We present a microscopic theory of a lateral quantum dot molecule in a radial magnetic field with a Greenberger- Horne- Zeilinger (GHZ) maximally entangled three particle groundstate. The quantum dot molecule consists of three quantum dots with one electron spin each forming a central equilateral triangle. The anti-ferromagnetic spin-spin interaction is changed to the ferromagnetic interaction by additional doubly occupied quantum dots, one dot near each side of a triangle. The magnetic field is provided by micro-magnets. The interaction among the electrons is described within an extended Hubbard Hamiltonian and electronic states are obtained using configuration interaction approach. The set of parameters is established for which the ground state of the molecule in a radial magnetic field is well approximated by a GHZ state.

cond-mat.mes-hall↗

arXiv2010

Fine structure and size dependence of exciton and bi-exciton optical spectra in CdSe nanocrystals

Theory of electronic and optical properties of exciton and bi-exciton complexes confined in CdSe spherical nanocrystals is presented. The electron and hole states are computed using atomistic $sp^3d^5s^*$ tight binding Hamiltonian including an effective crystal field splitting, spin-orbit interactions, and model surface passivation. The optically excited states are expanded in electron-hole configurations and the many-body spectrum is computed in the configuration-interaction approach. Results demonstrate that the low-energy electron spectrum is organized in shells ($s$, $p$, ...), whilst the valence hole spectrum is composed of four low-lying, doubly degenerate states separated from the rest by a gap. As a result, the bi-exciton and exciton spectrum is composed of a manifold of closely lying states, resulting in a fine structure of exciton and bi-exciton spectra. The quasi-degenerate nature of the hole spectrum results in a correlated bi-exciton state, which makes it slowly convergent with basis size. We carry out a systematic study of the exciton and bi-exciton emission spectra as a function of the nanocrystal diameter and find that the interplay of repulsion between constituent excitons and correlation effects results in a change of the sign of bi-exciton binding energy from negative to positive at a critical nanocrystal size.

cond-mat.mes-hall↗

arXiv2010

Edge stability, reconstruction, zero-energy states and magnetism in triangular graphene quantum dots with zigzag edges

We present the results of ab-initio density functional theory based calculations of the stability and reconstruction of zigzag edges in triangular graphene quantum dots. We show that, while the reconstructed pentagon-heptagon zigzag edge structure is more stable in the absence of hydrogen, ideal zigzag edges are energetically favored by hydrogen passivation. Zero-energy band exists in both structures when passivated by hydrogen, however in case of pentagon-heptagon zigzag, this band is found to have stronger dispersion, leading to the loss of net magnetization.

cond-mat.mes-hall↗

arXiv2010

Valence holes as Luttinger spinor based qubits in quantum dots

We present a theory of valence holes as Luttinger spinor based qubits in p-doped self-assembled quantum dots within the 4-band $k\cdot p$ formalism. The two qubit levels are identified with the two chiralities of the doubly degenerate ground state. We show that single qubit operations can be implemented with static magnetic field applied along the $z$ and $x$ directions, acting analogously to the $\hatσ_z$ and $\hatσ_x$ operators in the qubit subspace respectively. The coupling of two dots and hence the double qubit operations are shown to be sensitive to the orientation of the two quantum dots. For vertical qubit arrays, there exists an optimal qubit separation suitable for the voltage control of qubit-qubit interactions.

cond-mat.str-el↗