A polaron is a quasiparticle used in condensed matter physics to understand the interactions between electrons and atoms in a solid material. The polaron concept was proposed by Lev Landau in 1933 and Solomon Pekar in 1946 to describe an electron moving in a dielectric crystal where the atoms displace from their equilibrium positions to effectively screen the charge of an electron, known as a phonon cloud. This lowers the electron mobility and increases the electron's effective mass.
The general concept of a polaron has been extended to describe other interactions between the electrons and ions in metals that result in a bound state, or a lowering of energy compared to the non-interacting system. Major theoretical work has focused on solving Fröhlich and Holstein Hamiltonians. This is still an active field of research to find exact numerical solutions to the case of one or two electrons in a large crystal lattice, and to study the case of many interacting electrons.
Experimentally, polarons are important to the understanding of a wide variety of materials. The electron mobility in semiconductors can be greatly decreased by the formation of polarons. Organic semiconductors are also sensitive to polaronic effects, which is particularly relevant in the design of organic solar cells that effectively transport charge. Polarons are also important for interpreting the optical conductivity of these types of materials.
The polaron, a fermionic quasiparticle, should not be confused with the polariton, a bosonic quasiparticle analogous to a hybridized state between a photon and an optical phonon.
The energy spectrum of an electron moving in a periodical potential of rigid crystal lattice is called the Bloch spectrum, which consists of allowed bands and forbidden bands. An electron with energy inside an allowed band moves as a free electron but has an effective mass that differs from the electron mass in vacuum. However, a crystal lattice is deformable and displacements of atoms (ions) from their equilibrium positions are described in terms of phonons.
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Introduction to the path integral formulation of quantum mechanics. Derivation of the perturbation expansion of Green's functions in terms of Feynman diagrams. Several applications will be presented,
This course will introduce students to the field of organic electronic materials. The goal of this course is to discuss the origin of electronic properties in organic materials, charge transport mecha
Explores the electronic structure and applications of organic semiconductor materials, covering charge transport, device preparation, and advanced topics.
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The electron self-interaction is a long-standing problem in density functional theory and is particularly critical in the description of polarons. Polarons are quasiparticles involving charge localization coupled with self-induced lattice distortions. Sinc ...
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Through the use of the piecewise-linearity condition of the total energy, we correct the self-interaction for the study of polarons by constructing nonempirical functionals at the semilocal level of theory. We consider two functionals, the gamma DFT and mu ...
We use piecewise-linear functionals to study the polaron energy landscape and hopping rates in beta-Ga2O3, which we adopt as an example of an anisotropic material hosting multiple polaronic states. We illustrate various functionals for polaron localization ...
Organic semiconductors are solids whose building blocks are pi-bonded molecules or polymers made up by carbon and hydrogen atoms and – at times – heteroatoms such as nitrogen, sulfur and oxygen. They exist in the form of molecular crystals or amorphous thin films. In general, they are electrical insulators, but become semiconducting when charges are either injected from appropriate electrodes, upon doping or by photoexcitation. In molecular crystals the energetic separation between the top of the valence band and the bottom conduction band, i.