Crystal-field effects in the formation of Wigner-molecule supercrystals in moiré TMD superlattices

Abstract

For moiré bilayer TMD superlattices, full-configuration-interaction (FCI) calculations are presented that take into account both the intra-moiré-quantum-dot (MQD) charge-carrier Coulombic interactions, as well as the crystal-field effect from the surrounding moiré pockets (inter-moiré-QD interactions). The effective computational embedding strategy introduced here allows for an FCI methodogy that enables the complete interpretation of the counterintuitive experimental observations reported recently in the context of moiré TMD superlattices at integer fillings $\nu =2$ and 4. Two novel states of matter are reported: (i) a genuinely quantum-mechanical supercrystal of $sliding$ Wigner molecules (WMs) for unstrained moiré TMD materials (when the crystal field is commensurate with the trilobal symmetry of the confining potential in each embedded MQD) and (ii) a supercrystal of $pinned$ Wigner molecules when the crystal field is incommensurate with the trilobal symmetry or straining of the whole material is involved. The case of $\nu =3$ is an exception, in that even the unstrained case is associated with a supercrystal of pinned WMs, which is due to the congruence of intrinsic (that of the WM) and external (that of the confining potential of the MQD) $C_3$ point-group symmetries. Furthermore, it is shown that the unrestricted Hartree-Fock approach fails to describe the supercrystal of sliding WMs in the unstrained case, providing a qualitative agreement only in the case of a supercrystal of pinned WMs

arXiv commentAccepted for publication in Physical Review Letters. 10 pages, 9 color figures. For similar papers, see https://sites.gatech.edu/cyannouleas/. arXiv admin note: text overlap with arXiv:2403.12262

References in corpus (43)

• Hubbard model physics in transition metal dichalcogenide moiré bands
• Wigner Crystallization in mesoscopic 2D electron systems
• Crossover from Fermi liquid to Wigner molecule behavior in quantum dots
• Symmetry breaking and quantum correlations in finite systems: Studies of quantum dots and ultracold Bose gases and related nuclear and chemical methods
• $\Gamma$-Valley Transition-Metal-Dichalcogenide Moirè Bands
• Full configuration interaction approach to the few-electron problem in artificial atoms
• Moiré quantum chemistry: charge transfer in transition metal dichalcogenide superlattices
• Collective and independent-particle motion in two-electron artificial atoms
• Symmetry restoration in mean-field approaches
• Observation and Spectroscopy of a Two-Electron Wigner Molecule in an Ultra-Clean Carbon Nanotube
• Excitation spectrum of two correlated electrons in a lateral quantum dot with negligible Zeeman splitting
• Direct observation of a magnetic field-induced Wigner crystal
• Quantum dots in high magnetic fields: Rotating-Wigner-molecule versus composite-fermion approach
• A molecular state of correlated electrons in a quantum dot
• Wigner molecules in quantum dots: a quantum Monte Carlo study
• Incipient Wigner Localization in Circular Quantum Dots
• Formation and control of electron molecules in artificial atoms: Impurity and magnetic-field effects
• Strong electron-electron interactions in Si/SiGe quantum dots
• Strongly correlated wave functions for artificial atoms and molecules
• Structural properties of electrons in quantum dots in high magnetic fields: Crystalline character of cusp states and excitation spectra
• Coherent control and spectroscopy of a semiconductor quantum dot Wigner molecule
• Three-electron anisotropic quantum dots in variable magnetic fields: exact results for excitation spectra, spin structures, and entanglement
• Two ground-state modifications of quantum-dot beryllium
• Single-shot readout of a driven hybrid qubit in a GaAs double quantum dot
• Rapidly rotating boson molecules with long or short range repulsion: an exact diagonalization study
• Bosonic molecules in rotating traps
• Double-well ultracold-fermions computational microscopy: Wave-function anatomy of attractive-pairing and Wigner-molecule entanglement and natural orbitals
• Two-body Wigner molecularization in asymmetric quantum dot spin qubits
• Edge states in graphene quantum dots: Fractional quantum Hall effect analogies and differences at zero magnetic field
• From a few to many electrons in quantum dots under strong magnetic fields: Properties of rotating electron molecules with multiple rings
• Strong hole-photon coupling in planar Ge for probing charge degree and strongly-correlated states
• Artificial quantum-dot Helium molecules: Electronic spectra, spin structures, and Heisenberg clusters
• Unified microscopic approach to the interplay of pinned-Wigner-solid and liquid behavior of lowest-Landau-level states in the neighborhood of nu=1/3
• Electron and boson clusters in confined geometries: symmetry breaking in quantum dots and harmonic traps
• Molecular formations and spectra due to electron correlations in three-electron hybrid double-well qubits
• Quantum Wigner molecules in moiré materials
• Wigner molecules and hybrid qubits
• Spin-dependent Rotating Wigner Molecules in Quantum dots
• Valleytronic full configuration-interaction approach: An application to the excitation spectra of Si double-dot qubits
• Wigner-molecule supercrystal in transition-metal dichalcogenide moiré superlattices: Lessons from the bottom-up approach
• Wigner-molecularization-enabled dynamic nuclear field programming
• Exact closed-form analytic wave functions in two dimensions: Contact-interacting fermionic spinful ultracold atoms in a rapidly rotating trap
• Electronic Wigner-Molecule Polymeric Chains in Elongated Silicon Quantum Dots and Finite-Length Quantum Wires

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