arXiv subjects

Pawel Hawrylak

Publications and source records attributed to Pawel Hawrylak.

At least 19 recordsLinked to original sources

arXiv2026

Bilayer graphene quantum dots as a quantum simulator of Haldane topological quantum matter

We demonstrate here that a chain of Bilayer Graphene Quantum Dots (BLGQDs) can realize topological quantum matter by effectively simulating a spin-1 chain that hosts the Haldane phase within a specific range of parameters. We describe a chain of BLGQDs with two electrons per dot using an atomistic tight-binding model combined with exact diagonalization to solve the interacting few-electron problem. Coulomb interactions and valley-mixing effects are treated within a single microscopic framework, allowing us to systematically investigate spin and valley polarization transitions as functions of interaction strength and external tuning parameters. We calculate the low energy states for single and double QDs as a function of the number of electrons, identifying regimes of highly correlated multi-electron states. We confirm the presence of a spin-one ground state for two electrons. Then, we explore two coupled QDs with 4 electrons and extend the analysis to QD arrays. Using a mapping of the BLGQD chain to an effective bilinear-biquadratic (BLBQ) spin model, we demonstrate that BLGQD arrays can work as a quantum simulator for one-dimensional spin chains with emergent many-body topological phases.

cond-mat.mes-hall↗

arXiv2026

Majorana Fermions in spin up and down electronic complexes in spin-orbit coupled array of semiconductor quantum dots in proximity to $s$-type superconductor and in magnetic field

Semiconductor-s-type superconductor nanowires host spinful fermions and cannot be reduced to a single spinless Kitaev chain hosting single Majorana zero mode. Instead, such systems can be converted into two coupled p-wave Kitaev-like chains associated with different spin sectors. Using the bond Fermion transformation and exact diagonalization, we analyze parity resolved spectra and local spectral functions, demonstrating that zero-energy modes strongly localized at the system boundaries emerge only in one effective chain. Inter-chain coupling lifts parity degeneracy and redistributes the low-energy spectral weight, providing a controlled framework to assess the stability of Majorana-like modes in the finite spinful nanowires.

cond-mat.mes-hall↗

arXiv2025

Magnetism and hidden quantum geometry in charge neutral twisted trilayer graphene

Here we present a theory of mirror-symmetric magic angle twisted trilayer graphene. The electronic properties are described by a Hubbard model with long range tunneling matrix elements. The electronic properties are obtained by solving the mean field Hubbard model. We obtain the bandstructure with characteristic flat bands and a Dirac cone. At charge neutrality, turning on electron-electron interactions results in metallic to antiferomagnetic phase transition, for Hubbard interaction strength considerably smaller than in other graphene multilayers. We analyze the stability of the antiferromagnetic state against the symmetry breaking induced by hexagonal boron nitride encapsulation, and mirror symmetry breaking caused by the application of electric fields that mix the Dirac cone with the flat bands. Additionally, we explore the topological properties of the system, revealing a hidden quantum geometry. Despite the flat bands having zero Chern numbers, the multiband Berry curvature distribution over the moiré Brillouin zone exhibits a non-trivial structure. Finally, we propose a mechanism to tune this quantum geometry, providing a pathway to control the system's topological properties.

cond-mat.mes-hall↗

arXiv2025

Efficient light upconversion via resonant exciton-exciton annihilation of dark excitons in few-layer transition metal dichalcogenides

In this work, we report a pronounced light upconversion in few-layer transition metal dichalcogenides. Our joint theory-experiment study attributes the upconversion photoluminescence to a resonant exciton-exciton annihilation involving a pair of dark excitons with opposite momenta, followed by the spontaneous emission of upconverted bright excitons, which can have a high upconversion efficiency. Additionally, the upconversion photoluminescence is generic in MoS2, MoSe2, WS2, and WSe2, showing a high tuneability from green to ultraviolet light.

cond-mat.mtrl-sci↗

arXiv2025

Designing Majorana Quasiparticles in InAsP Quantum Dots in InP Nanowires with Variational Quantum Eigenvalue Solver

This work presents steps toward the design of Majorana zero modes (MZM) in InAsP quantum dots (QD) embedded in an InP semiconducting nanowire in contact with a p-type superconductor described by the Kitaev Hamiltonian. The single particle spectrum is obtained from million atom atomistic calculations with QNANO and many-electron spectra using exact diagonalization (ED) and the hybrid Variational Quantum Eigensolver (VQE) method. A variational ansatz is constructed to capture the ground state of the system by utilizing a generalized form of the analytical solution for a particular set of parameters. By systematically deviating from the analytically solvable regime while maintaining the system in the topological phase (TP), the effectiveness of the variational function in reproducing the correct ground state and topological properties of the system is evaluated. This is done through a quantum algorithm for a many-body state containing MZM. The results are compared with exact solution in topological phase and demonstrate the capability of VQE, along with classical simulations, to accurately model the many-body spectra in topologically nontrivial state.

quant-ph↗

arXiv2024

Valley-spin polarization at zero magnetic field induced by strong hole-hole interactions in monolayer WSe$_2$

Monolayer transition metal dichalcogenides have emerged as prominent candidates to explore the complex interplay between the spin and the valleys degrees of freedom. The strong spin-orbit interaction and broken inversion symmetry within these materials lead to the spin-valley locking effect, in which carriers occupying the K and K' valleys of the reciprocal space must have opposite spin depending on which valley they reside. This effect is particularly strong for holes due to a larger spin-orbit gap in the valence band. By reducing the dimensionality of a monolayer of tungsten diselenide to 1D via electrostatic confinement, we demonstrate that spin-valley locking in combination with strong hole-hole interactions lead to a ferromagnetic state in which hole transport through the 1D system is spin-valley polarized, even without an applied magnetic field, and that the persistence of this spin-valley polarized configuration can be tuned by a global back-gate. This observation opens the possibility of implementing a robust and stable valley polarized system, essential for valleytronic applications.

cond-mat.mes-hall↗

arXiv2024

Interacting holes in a gated WSe$_2$ quantum channel: valley correlations and zigzag Wigner crystal

We present a theory of interacting valence holes in a gate-defined one-dimensional quantum channel in a single layer of a transition metal dichalcogenide material WSe$_2$. Based on a microscopic atomistic tight-binding model and Hartree-Fock and exact configuration-interaction tools we demonstrate the possibility of symmetry-broken valley polarized states for strongly interacting holes. The interplay between interactions, perpendicular magnetic field, and the lateral confinement asymmetry together with the strong Rashba spin-orbit coupling present in WSe$_2$ material is analyzed, and its impact on valley polarization is discussed. For weaker interactions, an investigation of the pair correlation function reveals a valley-antiferromagnetic phase. For low hole densities, a formation of a zigzag Wigner crystal phase is predicted. The impact of various hole liquid phases on transport in a high mobility quasi-one dimensional channel is discussed.

cond-mat.mes-hall↗

arXiv2024

Probing the zero energy shell wave functions of triangular graphene quantum dots with broken sublattice symmetry using a localized impurity

We present here a method of probing the wave functions of a degenerate shell in a triangular graphene quantum dot, triangulene, using a localized substitutional impurity. We demonstrate its applicability to the example of aza-triangulenes. Using the analytical solution for degenerate states of an all-carbon triangulene as a basis for a triangulene containing a nitrogen impurity, we predict the structure of the zero energy shell in the presence of this impurity. We show that the impurity allows probing of the wave functions of a degenerate shell on a carbon site where it is located. We confirm our predictions by a comparison with the tight-binding and ab-initio calculation as well as with experiment.

cond-mat.mes-hall↗

arXiv2024

Optical Properties of Gated Bilayer Graphene Quantum Dots with Trigonal Warping

We determine the optical properties of gated bilayer graphene quantum dots with trigonal warping (TW) of single-particle energy spectra. The lateral structure of metallic gates confines electrons and holes in a quantum dot (QD) electrostatically. The gated bilayer graphene energy spectrum is characterized by two K-valleys surrounded by three minivalleys with energies depending on the applied vertical electric field. Employing an atomistic tight-binding model, we compute the single-particle QD states and analyze the influence of TW on the energy spectrum as the lateral confining potential depth varies. We find a regime where the QD levels are dominated by the presence of three minivalleys around each K-valley. Next, we compute dipole matrix elements and analyze the oscillator strengths and optical selection rules for optical valence to conduction band transitions. We then include electron-electron interactions by first computing the microscopic Coulomb matrix elements, electron self-energy, and solving the Bethe-Salpeter equation to obtain the excitonic spectrum. Finally, we obtain the absorption spectrum for a shallow confining potential depth, which further amplifies the effects of TW on the optical properties. Our results predict the existence of two degenerate bright exciton states, each built of the three minivalley states that do not exist in the deep confinement regime, where the effects of TW are negligible.

cond-mat.mes-hall↗

arXiv2024

Two qubit gate with macroscopic singlet-triplet qubits in synthetic spin-one chains in InAsP quantum dot nanowires

We present a theory of a two qubit gate with macroscopic singlet-triplet (ST) qubits in synthetic spin-one chains in InAsP quantum dot nanowires. The macroscopic topologically protected singlet-triplet qubits are built with two spin-half Haldane quasiparticles. The Haldane quasiparticles are hosted by synthetic spin-one chain realized in chains of InAsP quantum dots embedded in an InP nanowire, with four electrons each. The quantum dot nanowire is described by a Hubbard-Kanamori (HK) Hamiltonian derived from an interacting atomistic model. Using exact diagonalization and Matrix Product States (MPS) tools, we demonstrate that the low-energy behavior of the HK Hamiltonian is effectively captured by an antiferromagnetic spin-one chain Hamiltonian. Next we consider two macroscopic qubits and present a method for creating a tunable coupling between the two macroscopic qubits by inserting an intermediate control dot between the two chains. Finally, we propose and demonstrate two approaches for generating highly accurate two-ST qubit gates : (1) by controlling the length of each qubit, and (2) by employing different background magnetic fields for the two qubits.

cond-mat.mes-hall↗

arXiv2023

Electrically Tunable Fine Structure of Negatively Charged Excitons in Gated Bilayer Graphene Quantum Dots

We predict here the fine structure of an electrically tunable negatively charged exciton (trion) composed of two electrons and a hole confined in a gated bilayer graphene quantum dot (QD). We start with an atomistic approach, allowing us to compute confined electron and confined hole QD states for a structure containing over one million atoms. Using atomistic wavefunctions we compute Coulomb matrix elements and self-energies. In the next step, by solving the Bethe-Salpeter-like equation for trions, we describe a negatively charged exciton, built as a strongly interacting interlayer complex of two electrons in the conduction band and one hole in the valence band. Unlike in conventional semiconducting QDs, we show that the trion contains a fine structure composed of ten states arising from the valley and spin degrees of freedom. Finally, we obtain absorption into and emission from the trion states. We predict the existence of bright low-energy states and propose to extract the fine structure of the trion using the temperature dependence of emission spectra.

cond-mat.mes-hall↗

arXiv2023

Topological design and synthesis of high-spin aza-triangulenes without Jahn-Teller distortions

The atomic doping of open-shell nanographenes enables the precise tuning of their electronic and magnetic state, which is crucial for their promising potential applications in optoelectronics and spintronics. Among this intriguing class of molecules, triangulenes stand out with their size-dependent electronic properties and spin states, which can also be influenced by the presence of dopant atoms and functional groups. However, the occurrence of Jahn-Teller distortions in such systems can have a crucial impact on their total spin and requires further theoretical and experimental investigation. In this study, we examine the nitrogen-doped aza-triangulene series via a combination of density functional theory and on-surface synthesis. We identify a general trend in the calculated spin states of aza-[n]triangulenes of various sizes, separating them into two symmetry classes, one of which features molecules that are predicted to undergo Jahn-Teller distortions that reduce their symmetry and thus their total spin. We link this behavior to the location of the central nitrogen atom relative to the two underlying carbon sublattices of the molecules. Consequently, our findings reveal that centrally-doped aza-triangulenes have one less radical than their undoped counterparts, irrespective of their predicted symmetry. We follow this by demonstrating the on-surface synthesis of π-extended aza-[5]triangulene, a large member of the higher symmetry class without Jahn-Teller distortions, via a simple one-step annealing process on Cu(111) and Au(111). Using scanning probe microscopy and spectroscopy combined with theoretical calculations, we prove that the molecule is positively charged on the Au(111) substrate, with a high-spin quintet state of S = 2, the same total spin as undoped neutral [5]triangulene.

cond-mat.mtrl-sci↗

arXiv2023

Majorana excitons in a Kitaev chain of semiconductor quantum dots in a nanowire

We present here a theory of Majorana excitons, photo-excited conduction electron-valence band hole pairs, interacting with Majorana Fermions in a Kitaev chain of semiconductor quantum dots embedded in a nanowire. Using analytical tools and exact diagonalisation methods we identify the presence of Majorana Zero Modes in the nanowire absorption spectra.

cond-mat.mes-hall↗

arXiv2022

Microscopic design of a topologically protected singlet-triplet qubit in an InAsP quantum dot array

We present here the steps enabling the microscopic design of a topologically protected singlet-triplet qubit in an InAsP quantum dot array embedded in an InP nanowire. The qubit is constructed with two Haldane spin-$\frac{1}{2}$ quasiparticles in a synthetic spin one chain. The qubit is described by a two-leg multi-orbital Hubbard Kanamori (HK) model with parameters obtained from the microscopic calculations of up to eight electrons in a single and double quantum dot. In this HK model describing long arrays of quantum dots, using both exact diagonalization and matrix product state (MPS) tools, we demonstrate a four-fold quasidegenerate ground state separated from excited states by a finite energy gap similar to a Heisenberg spin-1 chain in the Haldane phase. We demonstrate the existence of spin-$\frac{1}{2}$ quasiparticles at the edges of the chain by observing the magnetic field dependence of the low energy spectrum as a function of applied magnetic field. The applied magnetic field also isolates the singlet and $S^z=0$ triplet states from the other triplet components allowing these states to serve as a qubit basis. Most importantly, the regions in parameter space where the low energy spectrum of the multi-orbital Hubbard chain yields a Heisenberg spin-1 chain spectrum are mapped out. Due to the finite energy gap, this qubit has the potential to be protected against perturbations.

cond-mat.str-el↗

arXiv2022

Quantum simulator of extended bipartite Hubbard model with broken sublattice symmetry: magnetism, correlations, and phase transitions

We describe here a quantum simulator of extended bipartite Hubbard model with broken sublattice symmetry. The simulator consists of a structured lateral gate confining two dimensional electrons in a quantum well into artificial minima arranged in a hexagonal lattice. The sublattice symmetry breaking is generated by forming an artificial triangular graphene quantum dot (ATGQD) with zigzag edges. The resulting extended Hubbard model generates tunable ratio of tunneling strength to electron-electron interactions and of sublattice symmetry with control over shape. The validity of the simulator is confirmed for small systems using mean-field and exact diagonalization many-body approaches which show that the ground state changes from a metallic to an antiferromagnetic (AF) phase by varying the distance between sites or depth of the confining potential. The one-electron spectrum of these triangular dots contains a macroscopically degenerate shell at the Fermi level. The shell persists at the mean-field level for weak interactions (metallic phase) but disappears for strong interactions, in the AF phase. We determine the effects of electron-electron interactions on the ground state, the total spin, and the excitation spectrum as a function of filling of the ATGQD. We find that the half-filled charge neutral shell leads to a partially spin polarized state in both metallic and AF regimes in accordance with Liebs theorem. In both regimes a relatively large gap separates the spin polarized ground state to the first excited many-body state at half filling of the degenerate shell. By adding or removing an electron, this gap drops dramatically, and alternate total spin states emerge with energies nearly degenerate to a spin polarized ground state.

cond-mat.str-el↗

arXiv2021

Gate controlled quantum dots in monolayer WSe2

Quantum confinenement and manipulation of charge carriers are critical for achieving devices practical for quantum technologies. The interplay between electron spin and valley, as well as the possibility to address their quantum states electrically and optically, make two-dimensional (2D) transition metal dichalcogenides an emerging platform for the development of quantum devices. In this work, we fabricate devices based on heterostructures of layered 2D materials, in which we realize gate-controlled tungsten diselenide (WSe2) hole quantum dots. We discuss the observed mesoscopic transport features related to the emergence of quantum dots in the WSe2 device channel, and we compare them to a theoretical model.

cond-mat.mes-hall↗

arXiv2020

Prevalence of oxygen defects in an in-plane anisotropic transition metal dichalcogenide

Atomic scale defects in semiconductors enable their technological applications and realization of novel quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab-initio calculations we determine the nature of defects in the anisotropic van der Waals layered semiconductor ReS$_2$. We demonstrate the in-plane anisotropy of the lattice by directly visualizing chains of rhenium atoms forming diamond-shaped clusters. Using scanning tunneling spectroscopy we measure the semiconducting gap in the density of states. We reveal the presence of lattice defects and by comparison of their topographic and spectroscopic signatures with ab initio calculations we determine their origin as oxygen atoms absorbed at lattice point defect sites. These results provide an atomic-scale view into the semiconducting transition metal dichalcogenides, paving the way toward understanding and engineering their properties.

cond-mat.mtrl-sci↗

arXiv2020

Valley and spin polarized broken symmetry states of interacting electrons in gated MoS$_2$ quantum dots

Understanding strongly interacting electrons enables the design of materials, nanostructures and devices. Developing this understanding relies on the ability to tune and control electron-electron interactions by, e.g., confining electrons to atomically thin layers of 2D crystals with reduced screening. The interplay of strong interactions on a hexagonal lattice with two nonequivalent valleys, topological moments, and the Ising-like spin-orbit interaction gives rise to a variety of phases of matter corresponding to valley and spin polarized broken symmetry states. In this work we describe a highly tunable strongly interacting system of electrons laterally confined to monolayer transition metal dichalcogenide MoS$_2$ by metalic gates. We predict the existence of valley and spin polarized broken symmetry states tunable by the parabolic confining potential using exact diagonalization techniques for up to $N=6$ electrons. We find that the ground state is formed by one of two phases, either both spin and valley polarized or valley unpolarised but spin intervalley antiferromagnetic, which compete as a function of electronic shell spacing. This finding can be traced back to the combined effect of Ising-like spin-orbit coupling and weak intervalley exchange interaction. These results provide an explanation for interaction-driven symmetry-breaking effects in valley systems and highlight the important role of electron-electron interactions for designing valleytronic devices.

cond-mat.str-el↗