相关论文: Renormalization of Molecular Quasiparticle Levels …
On the basis of first-principles G0W0 calculations we study systematically how the electronic levels of a benzene molecule are renormalized by substrate polarization when physisorbed on different metallic and semiconducting surfaces. The…
Metallic behavior of band-insulator/ Mott-insulator interfaces was observed in artificial perovskite superlattices such as in nanoscale SrTiO3/LaTiO3 multilayers. Applying a semiclassical perspective to the parallel electronic transport we…
Quasiparticle (QP) wave functions, also known as Dyson orbitals, extend the concept of single-particle states to interacting electron systems. Here we employ many-body perturbation theory in the GW approximation to calculate the QP wave…
The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density…
We show that a strongly renormalized band of polaronic quasiparticle excitations is induced at the Fermi level of an interacting many-electron system on increasing the coupling of the electrons to local phonons. We give results for the…
The purpose of these notes is to provide a pedagogical introduction to the concept of renormalization in atomic physics. We study quantum dynamics of a model of a nonrelativistic single electron atom coupled to the quantum radiation field…
Quasiparticle calculations are performed to investigate the electronic band structures of various polymorphs of Hf and Zr oxides. The corrections with respect to density-functional-theory results are found to depend only weakly on the…
The characteristic features of the renormalization of the electrons in the bilayer cuprate superconductors are investigated within the kinetic-energy driven superconductivity. It is shown that the quasiparticle excitation spectrum is split…
A one-dimensional electron system at quarter-filling has been examined by applying the renormalization group method to a bosonized model with on-site (U) and nearest-neighbor (V) repulsive interactions. By evaluating both normal scattering…
We present a method for incorporating image-charge effects into the description of charge transport through molecular devices. A simple model allows us to calculate the adjustment of the transport levels, due to the polarization of the…
Understanding how renormalized quasiparticles emerge in strongly correlated electron materials provides a challenge for both experiment and theory. It has been predicted that distinctive spin and orbital screening mechanisms drive this…
Electron transfer at electrode interfaces to molecules in solution or at the electrode surface plays a vital role in numerous technological processes. However, treating these processes requires a unified and accurate treatment of the…
With the use of Gutzwiller-projected variational states, we study the renormalization of the current carried by the quasiparticles in high-temperature superconductors and of the quasiparticle spectral weight. The renormalization…
We propose a model intended to qualitatively capture the electron-electron interaction physics of two-dimensional electron gases formed near transition-metal oxide heterojunctions containing $t_{2g}$ electrons with a density much smaller…
The characteristics of molecular electronic devices are critically determined by metal-organic interfaces, which influence the arrangement of the orbital levels that participate in charge transport. Studies on self-assembled monolayers…
A stochastic cumulant GW method is presented, allowing us to map the evolution of photoemission spectra, quasiparticle energies, lifetimes and emergence of collective excitations from molecules to bulk-like systems with up to thousands of…
Two-loop renormalization-group analysis for a two-dimensional electron system with a partially flat Fermi surface has been carried out. We found that, {\it irrespective of pairing mechanism}, the quasiparticle weight is anisotropically…
We analyze by a renormalization method, the dynamics of a particle in a infinite square-well potential driven by an external monochromatic field. This method set up for Hamiltonian systems with two degrees of freedom allows us to analyze…
Photo-doping of Mott insulators or correlated metals can create an unusual metallic state which simultaneously hosts hole-like and electron-like particles. We study the dynamics of this state up to long times, as it passes its kinetic…
Molecule-metal interfaces have a broad range of applications in nanoscale materials science. Accurate characterization of their electronic structures from first-principles is key in understanding material and device properties. The GW…