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We develop a theoretical and computational framework to study polarons in semiconductors and insulators from first principles. Our approach provides the formation energy, excitation energy, and wavefunction of both electron and hole…

Materials Science · Physics 2019-06-21 Weng Hong Sio , Carla Verdi , Samuel Ponce , Feliciano Giustino

This article reviews recent theoretical developments in the ab initio study of polarons in materials. The polaron is an emergent quasiparticle that arises from the interaction between electrons and phonons in solids, and consists of an…

Materials Science · Physics 2025-12-09 Zhenbang Dai , Jon Lafuente-Bartolome , Feliciano Giustino

Despite their fundamental role in determining material properties, detailed momentum-dependent information on the strength of electron-phonon and phonon-phonon coupling (EPC and PPC, respectively) across the entire Brillouin zone (BZ) has…

Small polaron formation in transition metal oxides, like the prototypical material rutile TiO$_2$, remains a puzzle and a challenge to simple theoretical treatment. In our combined experimental and theoretical study, we examine this problem…

Materials Science · Physics 2017-12-06 Grigory Kolesov , Boris A. Kolesov , Efthimios Kaxiras

The formation of a polaron quasiparticle from a bare electron is studied in the framework of the Holstein model of electron-phonon coupling. Using Schr\"{o}dinger's formalism, we calculate the time evolution of the distribution of the…

Strongly Correlated Electrons · Physics 2007-05-23 Li-Chung Ku , S. A. Trugman

Small polarons remain a significant bottleneck in the realization of efficient devices using transition metal oxides. Routes to engineer small polaron coupling to electronic states and lattice modes to control carrier localization remain…

We propose a macroscopic theory of optical phonons, Fr{\"o}hlich polarons, and exciton-polarons in two-dimensional (2D) polar crystalline monolayers. Our theory extends the classical macroscopic formulation of the electron-phonon problem in…

Mesoscale and Nanoscale Physics · Physics 2025-03-05 V. Shahnazaryan , A. Kudlis , I. V. Tokatly

In a solid, electrons can be scattered both by phonons and other electrons. First proposed by Landau, scattering by phonons can lead to a composite entity called a polaron, in which a lattice distortion traps an itinerant electron (or hole)…

Materials Science · Physics 2023-01-18 Yunfan Liang , Min Cai , Lang Peng , Zeyu Jiang , Damien West , Ying-Shuang Fu , Shengbai Zhang

Polarons, that is, charge carriers correlated with lattice deformations, are ubiquitous quasiparticles in semiconductors, and play an important role in electrical conductivity. To date most theoretical studies of so-called large polarons,…

Polarons are quasiparticles that arise from the interaction of electrons or holes with lattice vibrations. Though polarons are well-studied across multiple disciplines, experimental observations of polarons in two-dimensional crystals are…

The discovery of localized plasmon polariton resonances has been pivotal in enabling tunability of the optical resonance. Recently, extensive research efforts have aimed to expand these achievements to other polaritonic states that exhibit…

Polarons are composite quasiparticles formed by excess charges and the accompanying lattice distortions in solids, and play a critical role in transport, optical, and catalytic properties of semiconductors and insulators. The standard…

Materials Science · Physics 2026-03-25 Zhenbang Dai , Donghwan Kim , Jon Lafuente-Bartolome , Feliciano Giustino

Polaron formation in pump-probe experiments is an inherently non-equilibrium phenomenon, driven by the ultrafast coupled dynamics of electrons and phonons, and culminating in the emergence of a localized quasiparticle state. In this work,…

Interactions between the lattice and charge carriers can drive the formation of phases and ordering phenomena that give rise to conventional superconductivity, insulator-to-metal transitions, and charge-density waves. These couplings also…

Hydrodynamic phonon transport phenomena, like second sound, have been observed in liquid Helium more than 50 years ago. More recently second sound has been observed in graphite at over 200 K using transient thermal grating techniques. In…

Mesoscale and Nanoscale Physics · Physics 2024-03-13 Laurenz Kremeyer , Tristan L. Britt , Bradley J. Siwick , Samuel C. Huberman

The ability to use photonic quasiparticles to control electromagnetic energy far below the diffraction limit is a defining paradigm in nanophotonics. An important recent development in this field is the measurement and manipulation of…

Circularly polarized phonons, characterized by nonzero angular momenta and magnetic moments, have attracted extensive attention. However, a long-standing critical issue in this field is the lack of an approach to accurately calculate phonon…

Materials Science · Physics 2026-01-29 Fuyi Wang , Xinqi Liu , Hong Sun , Huaiqiang Wang , Shuichi Murakami , Lifa Zhang , Haijun Zhang , Dingyu Xing

In materials with strong electron-phonon ($e$-ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Predicting charge transport and its temperature dependence in the polaron…

Materials Science · Physics 2019-12-03 Jin-Jian Zhou , Marco Bernardi

The properties of an electron in a typical solid are modified by the interaction with the crystal ions, leading to the formation of a quasiparticle: the polaron. Such polarons are often described using the Fr\"ohlich Hamiltonian, which…

Superconductivity · Physics 2021-05-12 Matthew Houtput , Jacques Tempere

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…

Materials Science · Physics 2023-02-17 Weng Hong Sio , Feliciano Giustino
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