Charge order in the kagome lattice Holstein model: a hybrid Monte Carlo study

Journal Article · 06 May 2023 · npj Quantum Materials

DOI: https://doi.org/10.1038/s41535-023-00553-y · OSTI ID:1972733

Bradley, Owen  ^[1]; Cohen-Stead, Benjamin ^[2]; Johnston, Steven ^[3]; Barros, Kipton ^[4]; Scalettar, Richard T. ^[1]

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1. Univ. of California, Davis, CA (United States)
2. Univ. of California, Davis, CA (United States); Univ. of Tennessee, Knoxville, TN (United States)
3. Univ. of Tennessee, Knoxville, TN (United States)
4. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

The Holstein model is a paradigmatic description of the electron-phonon interaction, in which electrons couple to local dispersionless phonon modes, independent of momentum. The model has been shown to host a variety of ordered ground states such as charge density wave (CDW) order and superconductivity on several geometries, including the square, honeycomb, and Lieb lattices. In this work, we study CDW formation in the Holstein model on the kagome lattice, using a recently developed hybrid Monte Carlo simulation method. We present evidence for $$\sqrt{3}$$ × $$\sqrt{3}$$ CDW order at an average electron filling of < n > = 2/3 per site, with an ordering wavevector at the K-points of the Brillouin zone. We estimate a phase transition occurring at T_c ≈ t/18, where t is the nearest-neighbor hopping parameter. Our simulations find no signature of CDW order at other electron fillings or ordering momenta for temperatures T ≥ t/20.

• Research Organization: Univ. of Tennessee, Knoxville, TN (United States); Univ. of California, Davis, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Grant/Contract Number: SC0022311
• OSTI ID: 1972733
• Alternate ID(s): OSTI ID: 2432289
• Journal Information: npj Quantum Materials, Vol. 8, Issue 1; ISSN 2397-4648
• Publisher: Nature Publishing GroupCopyright Statement
• Country of Publication: United States
• Language: English