Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session S61: Precision Many Body Physics IV: Modeling and Real MaterialsFocus
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Sponsoring Units: DCOMP DAMOP DCMP Chair: Volodymyr Turkowski, University of Central Florida Room: Room 418 |
Thursday, March 9, 2023 8:00AM - 8:36AM |
S61.00001: Multi-gap topological physics: geometrical notions, physical phases and novel responses. Invited Speaker: Robert-Jan Slager In this talk I will review recent work on multi-gap topological states. These phases are characterized by topological structures that cannot be captured by advances in more conventional symmetry-based topological classifications schemes. Upon utilizing new insights into connections with general geometric identities I will elucidate the structure of these phases and highlight physical signatures in both equilibrium and out-of-equilibrium settings. As a highlight I will address how this understanding vice versa also relates to new takes on formulating quantum geometrical notions that can be probed by physical responses. |
Thursday, March 9, 2023 8:36AM - 8:48AM |
S61.00002: Topological hydrodynamic circulator in graphene's viscous Hall fluid Wenbo Sun, Todd F Van Mechelen, Ashwin K Boddeti, Sathwik Bharadwaj, Zubin Jacob Viscous Hall electron fluid in graphene has emerged at the forefront of many-body interacting electron systems due to its low dimensionality and impurity density. It is the first candidate for a non-local topological electromagnetic phase of matter. This 2D topological viscous Hall insulator is characterized by an optical N invariant, fundamentally different from the Chern and quantum spin Hall insulators. Here, we show that with broken time-reversal symmetry, this viscous Hall fluid is in a topological electromagnetic phase arising from the repulsive nature of Hall viscosity. This feature is evident by studying the edge magneto-plasmons, which close the low-frequency electromagnetic bandgap for graphene and have dispersion relations independent of fluid boundary conditions. Based on the unidirectional topological edge plasmons immune to back-scattering, we design and simulate a topological circulator, which is a chiral quantum radio-frequency (RF) circuit component crucial for information routing and interfacing quantum-classical computing systems. Our work opens practical applications of graphene's viscous Hall fluid and simultaneously provides an experimental platform for studying topological hydrodynamics of light. |
Thursday, March 9, 2023 8:48AM - 9:00AM |
S61.00003: Picoelectrodynamics: Atomistic Nonlocal Electrodynamic Waves in Silicon Sathwik Bharadwaj, Todd Van Mechelen, Zubin Jacob The concept of photonic frequency $(omega)$ - momentum $(q)$ dispersion has been extensively studied in artificial dielectric structures such as photonic crystals and metamaterials. However, the $omega-q$ dispersion of electrodynamic waves hosted in natural materials at the atomistic level is far less explored. Here, we develop an atomistic nonlocal electrodynamic theory of matter by combining the Maxwell Hamiltonian theory of matter with a quantum theory of atomistic polarization. We apply this theory to silicon and discover the existence of atomistic electrodynamic waves. Atomistic electrodynamic waves have sub-nano-meter effective wavelengths in the picoelectrodynamics regime. Further, we show that the atomistic optical conductivity in silicon is highly anisotropic along different momentum directions due to atomistic electronic correlations. Our findings demonstrate that the natural media host variety of yet to be discovered electromagnetic phases of matter and provide a pathway towards the discovery of rich atomic scale light-matter interaction phenomena. |
Thursday, March 9, 2023 9:00AM - 9:12AM |
S61.00004: The TPSC+ approach: validity in the renormalized classical regime of the 2D Hubbard model Chloé Gauvin-Ndiaye, Camille Lahaie, Yury Vilk, A.-M. S Tremblay The two-particle self-consistent approach (TPSC) is a non-perturbative approach for the Hubbard model. Though it satisfies local spin and charge sum rules, the Pauli principle, the Mermin-Wagner theorem and conservation laws, it overestimates spin fluctuations at low temperatures and is not valid deep in the renormalized classical regime of the 2D Hubbard model [1]. Recently, the TPSC+ approach was introduced as an improved version of the method [2]. In this work, we use analytical considerations to show that the TPSC+ approach is valid in the renormalized classical regime of the 2D Hubbard model, that it satisfies the Mermin-Wagner theorem and that it shows better self-consistency between one- and two-particle properties than the original TPSC approach. |
Thursday, March 9, 2023 9:12AM - 9:24AM |
S61.00005: The TPSC+ approach: benchmarks and spin fluctuations in the electron-doped cuprates Camille Lahaie, Chloé Gauvin-Ndiaye, Yuri Vilk, A.-M. S Tremblay One of the important models for the study of electron interactions in strongly correlated materials is the Hubbard model. There is a handful of approaches that find solutions to this model that satisfy the Mermin-Wagner theorem in two dimensions. One of these methods is the Two-Particle Self-Consistent approach (TSPC) [1][2], which has given a satisfactory description of the ARPES pseudogap in electron-doped cuprates. However, this method is not valid in regimes where the antiferromagnetic correlation length becomes too large. |
Thursday, March 9, 2023 9:24AM - 9:36AM |
S61.00006: Benchmark of the TPSC+DMFT approach to the two-dimensional Hubbard Model Nicolas Martin, Chloé Gauvin-Ndiaye, André-Marie S Tremblay In quantum materials, theoretical methods that are accurate for both short-distance observables and long-wavelength collective modes are still being developed for the Hubbard model. Here we benchmark against published Diagrammatic Quantum Monte Carlo results [1,2] an approach that combines local observables from dynamical mean-field theory (DMFT) with the two-particle self-consistent theory (TPSC) [3]. This method (TPSC+DMFT) is relevant for weak to intermediate interactions and satisfies both the Mermin-Wagner theorem in two dimensions and the local Pauli principle. With this method, we find improvements for both spin and charge fluctuations and for the self-energy compared with TPSC. We also find that the accuracy check developed for TPSC is a good predictor of deviations from benchmarks. TPSC+DMFT can be used in regimes where Quantum Monte Carlo is inaccessible. In addition, this method paves the way to multi-band generalizations of TPSC that could be used in advanced electronic structure codes with DMFT options. |
Thursday, March 9, 2023 9:36AM - 9:48AM |
S61.00007: Locality Error Free Effective Core Potentials of 3d Transition Metal Elements for the Diffusion Monte Carlo method Tom Ichibha, Yutaka Nikaido, Chandler M Bennett, Jaron T Krogel, Kenta Hongo, Ryo Maezono, Fernando A Reboredo Locality errors have limited the scope and accuracy of the application of diffusion Monte Carlo (DMC) to materials. Transition metal oxide energies are particularly sensitive to locality errors in the pseudopotentials. Therefore, we developed locality error free effective core pseudo-Hamiltonians (PH) for 3d transition metals based on the framework described in M.C. Bennett et al, JCTC 18, 2 (2022). We carefully optimized our PHs and achieved accuracies similar to other state-of-the-art semilocal pseudopotentials used for DMC. In this talk, we will explain how our PHs differ from the conventional semilocal pseudopotentials and how we can avoid locality errors. We will discuss the transferability of our PHs as compared to state-of-the-art semilocal pseudopotentials and all-electron calculations with CCSD(T), coupled cluster singles, doubles, and perturbative triples. |
Thursday, March 9, 2023 9:48AM - 10:00AM |
S61.00008: Robust charge-density wave correlations in the electron-doped single-band Hubbard model Thomas A Maier, Steven S Johnston, Nathan S Nichols, Seher Karakuzu, Feng Bao, Adrian G Del Maestro, Peizhi Mai There is growing evidence that the hole-doped single-band Hubbard and t-J models do not have a superconducting ground state reflective of the high-temperature cuprate superconductors but instead have striped spin- and charge-ordered ground states. Nevertheless, it is proposed that these models may still provide an effective low-energy model for electron-doped materials. Here we study the finite temperature spin and charge correlations in the electron-doped Hubbard model using quantum Monte Carlo dynamical cluster approximation calculations and contrast their behavior with those found on the hole-doped side of the phase diagram. We find evidence for a charge modulation with both checkerboard and unidirectional components decoupled from any spin-density modulations. These correlations are inconsistent with a weak-coupling description based on Fermi surface nesting, and their doping dependence agrees qualitatively with resonant inelastic x-ray scattering measurements. Our results provide evidence that the single-band Hubbard model describes the electron-doped cuprates. |
Thursday, March 9, 2023 10:00AM - 10:12AM |
S61.00009: Renormalized Perturbation Theory for Fast Evaluation of Feynman Diagrams on the Real Frequency Axis Michael D Burke, James LeBlanc, Maxence Grandadam We present a method to accelerate the numerical evaluation of spatial integrals of Feynman diagrams when expressed on the real frequency axis. This can be realized through use of a renormalized perturbation expansion with a constant but complex renormalization shift. The complex shift acts as a regularization parameter for the numerical integration of otherwise sharp functions. This results in an exponential speed up of stochastic numerical integration at the expense of evaluating additional counter-term diagrams. We provide proof of concept calculations within a difficult limit of the half-filled 2D Hubbard model on a square lattice. |
Thursday, March 9, 2023 10:12AM - 10:24AM |
S61.00010: High order corrections to the GW approximation for the 2D Hubbard model Daria Gazizova, James LeBlanc In conventional GW approximation scheme the effective screened interaction is usually restricted at RPA level. We extend this to include arbitrarily high order Feynman diagrams in the 2D Hubbard model. We utilize Algorithmic Matsubara Integration to symbolically generate analytical expressions and evaluate the Matsubara sums via standard Monte Carlo. We construct an infinite resummation scheme that resolves the instability associated with Q = (π, π) region common in low order resummation schemes. |
Thursday, March 9, 2023 10:24AM - 10:36AM |
S61.00011: The interface between Quantum Monte Carlo techniques and mean-field calculations for strongly correlated quantum many-body systems Harrison J Mausolff
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Thursday, March 9, 2023 10:36AM - 10:48AM |
S61.00012: Effect of vacancy defects on geometrically frustrated magnets Sergey Syzranov Quenched disorder may prevent the formation of the widely sought quantum-spin-liquid states (QSLs) or mask their signatures by inducing a spin-glass state, which is why considerable experimental efforts are directed at purifying materials that may host QSLs. However, in geometrically frustrated (GF) magnets, the largest class of materials in which QSLs are sought, the glass-transition temperature Tg grows with decreasing the density of vacancy defects, accompanied by a simultaneous growth of the magnetic susceptibility. |
Thursday, March 9, 2023 10:48AM - 11:00AM |
S61.00013: Ultrafast characterization of multi-layer MoS2 on a microdisk resonator Gyan Prakash, Ramesh Kudalippalliyalil, Karen E Grutter, Thomas E Murphy Two-dimensional (2D) materials like transition metal dichalcogenides have recently emerged as practical active materials for on-chip photonics. Since there are no dangling bonds, these materials are easily integrated into underlying substrates by van der Waals (vdW) forces, which facilitate device fabrication. In this work, we exfoliate multi- and few-layer flakes of MoS2 onto a SiN microdisk resonator. Using ultrafast laser pulses of 50 fs duration and wavelength 800 nm, we photo-excite these MoS2 flakes and monitor the fast modulated response of the resonator. The device exhibits a transient red and blue shift in the resonance wavelength with distinctly different time-scales, which we attribute to the carrier dynamics in the MoS2 flakes. |
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