2697 Publications

Low-Scaling algorithms for GW and constrained random phase approximation using symmetry-adapted interpolative separable density fitting

We present low-scaling algorithms for GW and constrained random phase approximation based on a symmetry-adapted interpolative separable density fitting (ISDF) procedure that incorporates the space-group symmetries of crystalline systems. The resulting formulations scale cubically with respect to system sizes and linearly with the number of 𝐤-points, regardless of the choice of single-particle basis and whether a quasiparticle approximation is employed. We validate these methods through comparisons with published literature and demonstrate their efficiency in treating large-scale systems through the construction of downfolded many-body Hamiltonians for carbon dimer defects embedded in hexagonal boron nitride supercells. Our work highlights the efficiency and general applicability of ISDF in the context of large-scale many-body calculations with 𝐤-point sampling beyond density functional theory.
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Variational adiabatic transport of tensor networks

We discuss a tensor network method for constructing the adiabatic gauge potential -- the generator of adiabatic transformations -- as a matrix product operator, which allows us to adiabatically transport matrix product states. Adiabatic evolution of tensor networks offers a wide range of applications, of which two are explored in this paper: improving tensor network optimization and scanning phase diagrams. By efficiently transporting eigenstates to quantum criticality and performing intermediary density matrix renormalization group (DMRG) optimizations along the way, we demonstrate that we can compute ground and low-lying excited states faster and more reliably than a standard DMRG method at or near quantum criticality. We demonstrate a simple automated step size adjustment and detection of the critical point based on the norm of the adiabatic gauge potential. Remarkably, we are able to reliably transport states through the critical point of the models we study.
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Unveiling order from chaos by approximate 2-localization of random matrices

Quantum many-body systems are typically endowed with a tensor product structure. This structure is inherited from probability theory, where the probability of two independent events is the product of the probabilities. The tensor product structure of a Hamiltonian thus gives a natural decomposition of the system into independent smaller subsystems. Considering a particular Hamiltonian and a particular tensor product structure, one can ask: is there a basis in which this Hamiltonian has this desired tensor product structure? In particular, we ask: is there a basis in which an arbitrary Hamiltonian has a 2-local form, i.e. it contains only pairwise interactions? Here we show, using numerical and analytical arguments, that generic Hamiltonian (e.g. a large random matrix) can approximately be written as a linear combination of two-body interactions terms with high precision; that is the Hamiltonian is 2-local in a carefully chosen basis. We show that these Hamiltonians are robust to perturbations. Taken together, our results suggest a possible mechanism for the emergence of locality from chaos.
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Geometric Stiffness in Interlayer Exciton Condensates

D. Guerci, R. Queiroz
Recent experiments have confirmed the presence of interlayer excitons in the ground state of transition metal dichalcogenide (TMD) bilayers. The interlayer excitons are expected to show remarkable transport properties when they undergo Bose condensation. In this work, we demonstrate that quantum geometry of Bloch wavefunctions plays an important role in the phase stiffness of the Interlayer Exciton Condensate (IEC). Notably, we identify a geometric contribution that amplifies the stiffness, leading to the formation of a robust condensate with an increased BKT temperature. Our results have direct implications for the ongoing experimental efforts on interlayer excitons in materials that have non-trivial quantum geometry. We provide quantitative estimates for the geometric contribution in TMD bilayers through a realistic continuum model with gated Coulomb interaction, and find that the substantially increased stiffness allows for an IEC to be realized at amenable experimental conditions.
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Nature of even and odd magic angles in helical twisted trilayer graphene

D. Guerci
Helical twisted trilayer graphene exhibits zero-energy flat bands with large degeneracy in the chiral limit. The flat bands emerge at a discrete set of magic twist angles and feature properties intrinsically distinct from those realized in twisted bilayer graphene. Their degeneracy and the associated band Chern numbers depend on the parity of the magic angles. Two degenerate flat bands with Chern numbers C
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Chern mosaic and ideal flat bands in equal-twist trilayer graphene

D. Guerci
We study trilayer graphene arranged in a staircase stacking configuration with equal consecutive twist angle. On top of the moiré cristalline pattern, a supermoiré long-wavelength modulation emerges that we treat adiabatically. For each valley, we find that the two central bands are topological with Chern numbers C=±1 forming a Chern mosaic at the supermoiré scale. The Chern domains are centered around the high-symmetry stacking points ABA or BAB and they are separated by gapless lines connecting the AAA points, where the spectrum is fully connected. In the chiral limit and at a magic angle of ∼1.69°, we prove that the central bands are exactly flat with ideal quantum curvature at ABA and BAB. Furthermore, we decompose them analytically as a superposition of an intrinsic color-entangled state with ±2 and a Landau level state with Chern number ∓1. To connect with experimental configurations, we also explore the non-chiral limit with finite corrugation and find that the topological Chern mosaic pattern is indeed robust and the central bands are still well separated from remote bands.
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Edge zeros and boundary spinons in topological Mott insulators

N. Wagner, D. Guerci
We introduce a real-space slave rotor theory of the physics of topological Mott insulators, using the Kane-Mele-Hubbard model as an example, and use it to show that a topological gap in the Green function zeros corresponds to a gap in the bulk spinon spectrum and that a zero edge mode corresponds to a spinon edge mode. We then consider an interface between a topological Mott insulator and a conventional topological insulator showing how the spinon edge mode of the topological Mott insulator combines with the spin part of the conventional electron topological edge state leaving a non-Fermi liquid edge mode described by a gapless propagating holon and gapped spinon state. Our work demonstrates the physical meaning of Green function zeros and shows that interfaces between conventional and Mott topological insulators are a rich source of new physics.
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Absence of quantization in the circular photogalvanic effect in disordered chiral Weyl semimetals

D. Guerci
The circularly polarized photogalvanic effect (CPGE) is studied in chiral Weyl semimetals with short-ranged quenched disorder. Without disorder, the topological properties of chiral Weyl semimetals lead to the quantization of the CPGE, which is a second-order optical response. Using a combination of diagrammatic perturbation theory in the continuum and exact numerical calculations via the kernel polynomial method on a lattice model we show that disorder perturbatively destabilizes the quantization of the CPGE.
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Keldysh field theory of dynamical exciton condensation transitions in nonequilibrium electron-hole bilayers

Y. Zeng, V. Crépel
Recent experiments have realized steady-state electrical injection of interlayer excitons in electron-hole bilayers subject to a large bias voltage. In the ideal case in which interlayer tunneling is negligibly weak, the system is in quasi-equilibrium with a reduced effective band gap. Interlayer tunneling introduces a current and drives the system out of equilibrium. In this work we derive a nonequilibrium field theory description of interlayer excitons in biased electron-hole bilayers. In the large bias limit, we find that p-wave interlayer tunneling reduces the effective band gap and increases the effective temperature for intervalley excitons. We discuss possible experimental implications for InAs/GaSb quantum wells and transition metal dichalcogenide bilayers.
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