相关论文: Polarons from first principles, without supercells
We present a perturbative treatment of the response properties of insulating crystals under a dc bias field, and use this to study the effects of such bias fields on the Born effective charge tensor and dielectric tensor of insulators. We…
We describe a new approach to compute the electron-phonon self-energy and carrier mobilities in semiconductors. Our implementation does not require a localized basis set to interpolate the electron-phonon matrix elements, with the advantage…
Exceptionally displaceable ions, evidenced by huge ratios of materials static to high-frequency dielectric constants, enable short-range electron-phonon interactions to stabilize large planar bipolarons. These large bipolarons are compact…
The Hamiltonian describing a system of strongly correlated electrons coupled to dispersionless phonons was solved numerically for a ring of 8 atoms using the density matrix renormalization group (DMRG) method. It was found that electron…
Exciton-polaritons are hybrid elementary excitations of light and matter that, thanks to their nonlinear properties, enable a plethora of physical phenomena ranging from room temperature condensation to superfluidity. While polaritons are…
In the Reststrahlen region, between the transverse and longitudinal phonon frequencies, polar dielectric materials respond metallically to light and the resulting strong light-matter interactions can lead to the formation of hybrid…
Polar phonons can induce electric fields in an adjacent layer, whether non-polar or polar, producing remote phonon scattering of electrons. Treatment of remote phonon scattering has been based on the dielectric continuum model which takes…
Cluster perturbation theory in combination with the Lanczos method is used to compute the one-electron spectral function of the Holstein polaron in one and two dimensions. It is shown that the method allows reliable calculations using…
We study interactions between polaritons formed by hybridization of excitons in a two-dimensional (2D) semiconductor with surface optical phonons or plasmons. These quasiparticles have a high effective mass and can bind into bipolaritons…
In this work we investigate charge transport in one-dimensional (1D) insulators via semi-classical and perturbative renormalization group (RG) methods. We consider the problem of electron-electron, electron-phonon and electron-two-level…
In this work we provide a comprehensive review of theoretical and experimental studies of the properties of polarons formed by mobile impurities strongly interacting with quantum many-body systems. We present a unified perspective on the…
Polarons are composite quasiparticles comprising electronic charge carriers taken together with the alterations they induce in surrounding condensed matter. Strong-coupling polarons form when electronic charge carriers become self-trapped:…
An algorithm for first-principles electronic structure calculations having a computational cost which scales linearly with the system size is presented. Our method exploits the real-space localization of the density matrix, and in this…
We explore the emergence of phonon-mediated superconductivity in bilayer borophenes by controlled intercalation with elements from the groups of alkali, alkaline-earth, and transition metals, using systematic first-principles and Eliashberg…
In recent years there has been significant fundamental research into phonon polaritons, owing to their ability to compress light to extremely small dimensions, low-losses, and ability to support anisotropic propagation. In this perspective,…
Using long C_{N}H_{2} conjugated carbon chains with the polyynic structure as prototypical examples of one-dimensional (1D) semiconductors, we discuss self-localization of excess charge carriers into 1D large polarons in the presence of the…
We theoretically study the development of spontaneous magnetization in diluted magnetic semiconductors as arising from a percolation of bound magnetic polarons. Within the framework of a generalized percolation theory we derive analytic…
Recent advances in fabrication of two dimensional materials and their moir\'e heterostructures have opened up new avenues for realization of ground-state excitonic insulators, where the structure spontaneously develops a finite interlayer…
We describe a class of theories of dielectric polarization and a species of solitons in these theories. The solitons, made entirely out of the polarization field, have quantized values of the electric charge and can be interpreted as…
Polar-optical phonon interactions with carriers in semiconductors are long range interactions due to their Coulombic nature. Generally, if one wants to treat these with non-equilibrium Green's functions, this long-range interaction requires…