Related papers: Plasmon-pole approximation for many-body-effects i…
The formation of image-potential states at the interface between a graphene layer and a metal surface is studied by means of model calculations. An analytical one-dimensional model-potential for the combined system is constructed and used…
High level of dissipation in normal metals makes challenging development of active and passive plasmonic devices. One possible solution to this problem is to use alternative materials. Graphene is a good candidate for plasmonics in near…
Although plasmon modes exist in doped graphene, the limited range of doping achieved by gating restricts the plasmon frequencies to a range that does not include visible and infrared. Here we show, through the use of first-principles…
The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large short-range error, which tends to cancel out of…
We provide an in-depth examination of the $GW$ approximation of Green's function many-body perturbation theory by detailing both its theoretical and practical aspects in the realm of quantum chemistry. First, the quasiparticle context is…
In many-body perturbation theory (MBPT) the self-energy \Sigma=iGW\Gamma plays the key role since it contains all the many body effects of the system. The exact self-energy is not known; as first approximation one can set the vertex…
A fully integrated waveguide-based, efficient surface plasmon coupler composed of a realistic non-tapered dielectric waveguide with graphene patches and sheet is designed and optimized for the infrared. The coupling efficiency can reach…
Polarizability of non-interacting 2D Dirac electrons has a 1/\sqrt{qv-\omega} singularity at the boundary of electron-hole excitations. The screening of this singularity by long-range electron-electron interactions is usually treated within…
The dispersion relation of surface plasmon polaritons in graphene that includes optical losses is often obtained for complex wave vectors while the frequencies are assumed to be real. This approach, however, is not suitable for describing…
We demonstrated doping in 2D monolayer graphene via local electrical stressing. The doping, confirmed by the resistance-voltage transfer characteristics of the graphene system, is observed to continuously tunable from N-type to P-type as…
We propose an analytical model for the remote bonding potential of the substrate that permeates through graphene during remote epitaxy. Our model, based on a Morse interatomic potential, includes the attenuation due to the increased…
We perform a detailed analysis of electronic polarizability of graphene with different theoretical approaches. From Kubo's linear response formalism, we give a general expression of frequency and wave-vector dependent polarizability within…
Graphene offers a possibility for actively controlling plasmon confinement and propagation by tailoring its spatial conductivity pattern. However, implementation of this concept has been hampered because uncontrollable plasmon reflection is…
We assess the performance of a recently proposed renormalized adiabatic local density approximation (rALDA) for \textit{ab initio} calculations of electronic correlation energies in solids and molecules. The method is an extension of the…
This paper gives a theoretical formulation of the electromagnetic response of the quasi-two-dimensional (Q2D) crystals suitable for investigation of optical activity and polariton modes. The response to external electromagnetic field is…
The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of…
The accurate description of electron correlation and excitation energies remains a fundamental challenge in quantum chemistry. The particle-particle random phase approximation (ppRPA) has emerged as a promising method for capturing a broad…
We analyse recently measured nonlinear photoemission spectra from Ag surfaces that reveal resonances whose energies do not scale with the applied photon energy but stay pinned to multiples of bulk plasmon energy $\hbar\omega_p$ above the…
We present theoretical calculations of quasiparticle energies in closed-shell molecules using the GW method. We compare three different approaches: a full-frequency $G_0W_0$ (FF-$G_0W_0$) method with density functional theory (DFT-PBE) used…
We have developed a new type of self-consistent scheme within the $GW$ approximation, which we call quasiparticle self-consistent $GW$ (QS$GW$). We have shown that QS$GW$ rather well describes energy bands for a wide-range of materials,…