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Pawel Potasz

Publications and source records attributed to Pawel Potasz.

11 recordsLinked to original sources

Electrically Tunable Valley-Based Qubits in Moiré Quantum Dots

The search for scalable, electrically controlled qubits remains a central challenge in quantum technology. We introduce gate-defined moiré quantum dots as a promising platform for valley-based qubits. Moiré engineering resolves the central conflict of valley physics: momentum-space separation protects the states, while the enlarged moiré length scale allows smooth gates to mix them controllably. Dot geometry and confinement strength program valley hybridization, while a displacement field controls detuning, providing two noncommuting electrostatic axes for qubit control.

cond-mat.mes-hall

Engineering Biquadratic Interactions in Spin-1 Chains by Spin-1/2 Spacers

Low-dimensional quantum systems host a variety of exotic states, such as symmetry-protected topological ground states in spin-1 Haldane chains. Real-world realizations of such states could serve as practical quantum simulators for quantum phases if the interactions can be controlled. However, many proposed models, such as the Affleck-Kennedy-Lieb-Tasaki (AKLT) state, require unconventional forms of spin interactions beyond standard Heisenberg terms, which do not naturally emerge from microscopic (Coulomb) interactions. Here, we demonstrate a general strategy to induce a biquadratic term between two spin-1 sites and to tune its strength $β$ by placing pairs of spin-1/2 spacers in between them. $β$ is controlled by the ratio of the Heisenberg couplings between the spin-1 sites and the spacer spins, and between the spacer spins themselves. Increasing this ratio increases the magnitude of $|β|$ and decreases the correlation length of edge states. Detailed atomistic calculations reveal that chains of nanographene flakes with 22 and 13 atoms, respectively, which could be realized by state-of-the-art bottom-up growth technology, yield precisely the couplings required to approach the AKLT state. These findings deliver a blueprint for engineering unconventional interactions in bottom-up synthesized quantum simulators.

cond-mat.str-el

Controlling spin-$\frac 12$ antiferromagnetic interaction strength in nanographene dimers

We demonstrate that the effective spin-exchange coupling $J$ in open-shell nanographene dimers can be precisely tuned via tip-induced dehydrogenation of selected carbon atoms. Using the double ionization potential equation-of-motion coupled-cluster singles and doubles (DIP-EOM-CCSD) method, we accurately compute the singlet-triplet gaps, which correspond directly to the exchange coupling $J$. We show that the position of the dehydrogenated (or hydrogen-passivated) site in triangulene dimers strongly modulates the singlet-triplet splitting, allowing $J$ to be tuned over a wide range - from a few meV to several tens of meV. This strategy provides a simple yet powerful route for designing tailored spin models with alternating or spatially patterned spin-exchange couplings.

cond-mat.mes-hall

Superexchange Mechanism in Coupled Triangulenes Forming Spin-1 Chains

We show that the origin of the antiferromagnetic coupling in spin-1 triangulene chains, which were recently synthesized and measured by Mishra et al. Nature 598, 287-292 (2021) originates from a superexchange mechanism. This process, mediated by inter-triangulene states, opens the possibility to control parameters in the effective bilinear-biquadratic spin model. We start from the derivation of an effective tight-binding model for triangulene chains using a combination of tight-binding and Hartree-Fock methods fitted to hybrid density functional theory results. Next, correlation effects are investigated within the configuration interaction method. Our low-energy many-body spectrum for $N_{\rm Tr}=2$ and $N_{\rm Tr}=4$ triangulene chains agree well with the bilinear-biquadratic spin-1 chain antiferromagnetic model when indirect coupling processes, and superexchange coupling between triangulene spins are taken into account.

cond-mat.mtrl-sci

Itinerant ferromagnetism in transition metal dichalcogenides moiré superlattices

Moiré materials are artificial crystals formed at van der Waals heterojunctions that have emerged as a highly tunable platform to realize much of the rich quantum physics of electrons in atomic scale solids, also providing opportunities to discover new quantum phases of matter. Here we use finite-size exact diagonalization methods to explore the physics of single-band itinerant electron ferromagnetism in semiconductor moiré materials. We predict where ferromagnetism is likely to occur in triangular-lattice moiré systems, and where it is likely to yield the highest Curie temperatures.

cond-mat.str-el

Magnetism and Quantum Melting in Moiré-Material Wigner Crystals

Recent experiments have established that semiconductor-based moiré materials can host incompressible states at a series of fractional moiré-miniband fillings. These states have been identified as generalized Wigner crystals in which electrons localize on a subset of the available triangular-lattice moiré superlattice sites. In this article, we use momentum-space exact diagonalization to investigate the many-body ground state evolution at rational fillings from the weak-hopping classical lattice gas limit, in which only spin degrees-of-freedom are active at low energies, to the strong-hopping metallic regime where the Wigner crystals melt. We specifically address the nature of the magnetic ground states of the generalized Wigner crystals at fillings $ν$ = 1/3 and $ν$ = 2/3.

cond-mat.str-el

Non-local interactions in moiré Hubbard systems

Moiré materials formed in two-dimensional semiconductor heterobilayers are quantum simulators of Hubbard-like physics with unprecedented electron-density and interaction-strength tunability. Compared to atomic scale Hubbard-like systems, electrons or holes in moiré materials are less strongly attracted to their effective lattice sites because these are defined by finite-depth potential extrema. As a consequence, non-local interaction terms like interaction-assisted hopping and intersite-exchange are more relevant. We theoretically demonstrate the possibility of tuning the strength of these coupling constants to favor unusual states of matter, including spin liquids, insulating ferromagnets, and superconductors.

cond-mat.str-el

Exact Diagonalization for Magic-Angle Twisted Bilayer Graphene

We report on finite-size exact-diagonalization calculations in a Hilbert space defined by the continuum-model flat moiré bands of magic angle twisted bilayer graphene (MATBG). For moiré band filling $3>|ν|>2$, where superconductivity is strongest, we obtain evidence that the ground state is a spin ferromagnet. Near $|ν|=3$, we find Chern insulator ground states that have spontaneous spin, valley, and sublattice polarization, and demonstrate that the anisotropy energy in this order-parameter space is strongly band-filling-factor dependent. We emphasize that inclusion of the remote band self-energy is necessary for a reliable description of MATBG flat band correlations.

cond-mat.str-el

Metal-insulator transition in transition metal dichalcogenide heterobilayer moiré superlattices

Moiré superlattices formed in two-dimensional semiconductor heterobilayers provide a new realization of Hubbard model physics in which the number of electrons per effective atom can be tuned at will. We report on an exact diagonalization study of the electronic properties of half-filled narrow moiré bands in which correlation strengths are varied by changing twist angles or interaction strengths. We construct a phase diagram for the bilayer, identifying where the metal-insulator phase transition occurs, estimating the sizes of the charge gaps in the insulating phase, and commenting on the nature of the transition and the importance of sub-dominant interaction parameters.

cond-mat.str-el

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

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