相关论文: Unified ab initio description of Fr\"ohlich electr…

We perform ab initio calculations of the coupling between electrons and small-momentum polar-optical phonons in monolayer transition metal dichalcogenides of the 2H type: MoS2, MoSe2, MoTe2, WS2, and WSe2. The so-called Fr\"ohlich…

We develop an ab initio formalism for dipolar electron-phonon interactions (EPI) in two-dimensional (2D) materials. Unlike purely longitudinal Fr\"ohlich model, we show that the out-of-plane dipoles also contribute to the long-wavelength…

We present a detailed and self-contained theoretical study of polarons in two-dimensional (2D) polar materials, which extends the classical macroscopic theory of Fr\"ohlich polarons to the 2D case. The theory is fully determined by…

The electronic structure of condensed matter can be significantly affected by the electron-phonon interaction, leading to important phenomena such as electrical resistance, superconductivity or the formation of polarons. This interaction is…

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…

The electronic and vibrational properties and electron-phonon couplings of one-dimensional materials will be key to many prospective applications in nanotechnology. Dimensionality strongly affects these properties and has to be correctly…

State-of-the-art model Hamiltonians, like Fr\"ohlich's, or density functional theory approaches to electron-phonon interaction suffer from a severe overscreening error. This is due to the incorrect treatment of the screening of the ionic…

In compound semiconductors and insulators, the polar electron-phonon coupling diverges at long range, known as the Fr\"ohlich interaction. Modern first-principles electron-phonon calculations treat the Fr\"ohlich interaction in a…

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…

We develop a method for calculating the electron-phonon vertex in polar semiconductors and insulators from first principles. The present formalism generalizes the Fr\"ohlich vertex to the case of anisotropic materials and multiple phonon…

Describing electron-phonon interactions in a solid requires knowledge of the electron-phonon matrix elements in the Hamiltonian. State-of-the-art first-principles calculations for the electron-phonon interaction are limited to the…

We reveal new aspects of the interaction between plasmons and phonons in 2D materials that go beyond a mere shift and increase in plasmon width due to coupling to either intrinsic vibrational modes of the material or phonons in a supporting…

Following a resurgence of interest in dilute superconductivity in polar semiconductors, we perform a variational calculation to probe the existence of Fr{\"o}hlich bipolarons in these materials. Our solution is capable of interpolating…

Starting from recent advances in the first-principles modeling of polarons, variational polaron equations in the strong-coupling adiabatic approximation are formulated in Bloch space. In this framework, polaron formation energy as well as…

he formation of the optical polaron and bipolaron in two-dimensional (2D) systems are studied in the intermediate electron-phonon coupling regime. The total energies of 2D polaron and bipolaron are calculated by using the Buimistrov-Pekar…

The discovery of two-dimensional (2D) materials possessing switchable spontaneous polarization with atomic thickness opens up exciting opportunities to realize ultrathin, high-density electronic devices with potential applications ranging…

We present a general theory for semiconductor polarons in the framework of the Froehlich interaction between electrons and phonons. The latter is investigated using non-commuting phonon creation/annihilation operators associated with a…

Starting from the Flohlich electron-phonon model, which has a history of 50 years, a new unitary transformation is proposed to implement the perturbation treatment. Our main results are: (1)The phonon-induced interaction shows a crossover…

Lattice vibrations in materials induce perturbations on the electron dynamics in the form of long-range (dipole and quadrupole) and short-range (octopole and higher) potentials. The dipole Fr\"ohlich term can be included in current…

We develop a microscopic theoryof the trion polaron: a bound state of two electrons and one hole, dressed by longitudinal optical (LO) phonons. Starting from the Frohlich Hamiltonian, which describes the interaction of charged particles…