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arXiv:2503.13585

Solving fractional electron states in twisted MoTe$_2$ with deep neural network

Di Luo, Timothy Zaklama, Liang Fu

Published Mar 17, 2025• 1 citation
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Abstract

The emergence of moiré materials, such as twisted transition-metal dichalcogenides (TMDs), has created a fertile ground for discovering novel quantum phases of matter. However, solving many-electron problems in moiré systems presents significant challenges due to strong electron correlation and strong moiré band mixing. Recent advancements in neural quantum states hold the promise for accurate and unbiased variational solutions. Here, we introduce a powerful neural wavefunction to solve ground states of twisted MoTe2 across various fractional fillings, reaching unprecedented accuracy and system size. From the full structure factor and quantum weight, we conclude that our neural wavefunction accurately captures both the electron crystal at $ν= 1/3$ and various fractional quantum liquids in a unified manner.

DOI
10.48550/arxiv.2503.13585

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Solving fractional electron states in twisted MoTe2_22​ with deep neural network
The emergence of moiré materials, such as twisted transition-metal dichalcogenides (TMDs), has created a fertile ground for discovering novel quantum phases of matter. However, solving many-electron problems in moiré systems presents significant challenges due to strong electron correlation and strong moiré band mixing. Recent advancements in neural quantum states hold the promise for accurate and unbiased variational solutions. Here, we introduce a powerful neural wavefunction to solve ground states of twisted MoTe2 across various fractional fillings, reaching unprecedented accuracy and system size. From the full structure factor and quantum weight, we conclude that our neural wavefunction accurately captures both the electron crystal at ν=1/3ν= 1/3ν=1/3 and various fractional quantum liquids in a unified manner.
Moiré materials provide an ideal platform for exploring quantum phases of matter. However, solving the many-electron problem in moiré systems is challenging due to strong correlation effects. We introduce a powerful variational representation of quantum states, many-body neural Bloch wavefunction, to solve many-electron problems in moiré materials accurately and efficiently. Applying our method to the semiconductor heterobilayer WSe2/WS2 , we obtain a generalized Wigner crystal at filling factor n = 1/3, a Mott insulator n = 1, and a correlated insulator with local magnetic moments and antiferromagnetic spin correlation at n = 2. Our neural network approach improves the simulation accuracy of strongly interacting moiré materials and paves the way for discovery of new quantum phases with variational learning principle in a unified framework.
Fractional quantum Hall systems host strongly correlated topological phases with potential applications in topological quantum computation, yet identifying their microscopic ground states remains challenging because competing phases are often nearly degenerate and Landau-level mixing is difficult to treat. Here, we introduce a symmetry-adapted neural-network wavefunction that describes Abelian and non-Abelian states while incorporating all Landau levels. The method accurately captures composite-fermion liquids and the emergence of Wigner crystallization at low filling. When the first Landau level is partially filled, finite-size overlaps and entanglement spectra provide evidence consistent with 2ˉk1k+1\bar{2}^{k}1^{k+1}2ˉk1k+1-type parton phases at ν=4/3ν=4/3ν=4/3 and 7/57/57/5, while the ν=3/2ν=3/2ν=3/2 state exhibits anti-Pfaffian-like entanglement structure. These results demonstrate that neural-network wavefunctions offer a flexible framework for studying competing topological orders in fractional quantum Hall systems.
Abstract Moiré superlattice designed in stacked van der Waals material provides a dynamic platform for hosting exotic and emergent condensed matter phenomena. However, the relevance of strong correlation effects and the large size of moiré unit cells pose significant challenges for traditional computational techniques. To overcome these challenges, we develop an unsupervised deep learning approach to uncover electronic phases emerging from moiré systems based on variational optimization of neural network many-body wavefunction. Our approach has identified diverse quantum states, including novel phases such as generalized Wigner crystals, Wigner molecular crystals, and previously unreported Wigner covalent crystals. These discoveries provide insights into recent experimental studies and suggest new phases for future exploration. They also highlight the crucial role of spin polarization in determining Wigner phases. More importantly, our proposed deep learning approach is proven general and efficient, offering a powerful framework for studying moiré physics.
We introduce an attention-based fermionic neural network (FNN) to variationally solve the problem of two-dimensional Coulomb electron gas in magnetic fields, a canonical platform for fractional quantum Hall (FQH) liquids, Wigner crystals, and other unconventional electron states. Working directly with the full Hilbert space of NNN electrons confined to a disk, our FNN consistently attains energies lower than LL-projected exact diagonalization (ED) and learns the ground state wave function to high accuracy. In low LL mixing regime, our FNN reveals microscopic features in the short-distance behavior of FQH wave function beyond the Laughlin ansatz. For moderate and strong LL mixing parameters, the FNN outperforms ED significantly. Moreover, a phase transition from FQH liquid to a crystal state is found at strong LL mixing. Our study demonstrates unprecedented power and universality of FNN based variational method for solving strong-coupling many-body problems with topological order and electron fractionalization.
Topologically ordered states are among the most interesting quantum phases of matter that host emergent quasi-particles having fractional charge and obeying fractional quantum statistics. Theoretical study of such states is however challenging owing to their strong-coupling nature that prevents conventional mean-field treatment. Here, we demonstrate that an attention-based deep neural network provides an expressive variational wavefunction that discovers fractional Chern insulator ground states purely through energy minimization without prior knowledge and achieves remarkable accuracy. We introduce an efficient method to extract ground state topological degeneracy -- a hallmark of topological order -- from a single optimized real-space wavefunction in translation-invariant systems by decomposing it into different many-body momentum sectors. Our results establish neural network variational Monte Carlo as a versatile tool for discovering strongly correlated topological phases.
Strong correlation brings a rich array of emergent phenomena, as well as a daunting challenge to theoretical physics study. In condensed matter physics, the fractional quantum Hall effect is a prominent example of strong correlation, with Landau level mixing being one of the most challenging aspects to address using traditional computational methods. Deep learning real-space neural network wave function methods have emerged as promising architectures to describe electron correlations in molecules and materials, but their power has not been fully tested for exotic quantum states. In this work, we employ real-space neural network wave function techniques to investigate fractional quantum Hall systems. On both 1/3 and 2/5 filling systems, we achieve energies consistently lower than exact diagonalization results which only consider the lowest Landau level. We also demonstrate that the real-space neural network wave function can naturally capture the extent of Landau level mixing up to a very high level, overcoming the limitations of traditional methods. Our work underscores the potential of neural networks for future studies of strongly correlated systems and opens new avenues for exploring the rich physics of the fractional quantum Hall effect.