Polarons in two-dimensional atomic crystals

Abstract

The polaron is the archetypal example of a quasiparticle emerging from the interaction between fermionic and bosonic fields in quantum field theory. In crystalline solids, polarons are formed when electrons and holes become dressed by the quanta of lattice vibrations. While experimental signatures of polarons in bulk three-dimensional materials abound, only rarely have polarons been observed in two-dimensional atomic crystals. Here, we shed light on this asymmetry by developing a quantitative ab initio theory of polarons in atomically-thin crystals. Using this conceptual framework, we unravel the real-space structure of the recently-observed hole polaron in hexagonal boron nitride, we discover an unexpected critical condition for the existence of polarons in two-dimensional crystals, and we establish the key materials descriptors and the universal laws that underpin polaron physics in two dimensions.

arXiv comment37 pages, 15 figures

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Cited by in corpus (19)

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• Theory of excitonic polarons: From models to first-principles calculations
• High-throughput screening of 2D materials identifies p-type monolayer WS${}_2$ as potential ultra-high mobility semiconductor
• The Wannier Function Software Ecosystem for Materials Simulations
• Ab initio self-trapped excitons
• Ultrafast Photo-induced Phase Change in SnSe
• Spin-orbital Jahn-Teller bipolarons
• Two-Dimensional Moiré Polaronic Electron Crystals
• Identification of large polarons and exciton polarons in rutile and anatase polymorphs of titanium dioxide
• Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
• Approach to Data Science with Multiscale Information Theory
• Temperature effects in topological insulators of transition metal dichalcogenide monolayers
• Polarons in the Cubic Generalized Fröhlich Model: Spontaneous Symmetry Breaking
• Polaron catastrophe within quantum acoustics
• Variational first-principles approach to self-trapped polarons
• Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations
• Brightening dark excitons and trions in systems with a Mexican-hat energy dispersion: example of InSe
• Interfacial Polarons Driven by Charge Transfer In WSe2/Cuprate Superconductor Systems
• Symmetry-protected topological polarons