Electron self-energy in A3C60 (A=K, Rb): Effects of t1u plasmon in GW approximation

TL;DR

This paper calculates the electron self-energy in A3C60 compounds using GW approximation, highlighting the impact of t1u charge carrier plasmons on the electronic structure and band width reduction.

Contribution

It introduces a model incorporating t1u plasmons at 0.5 eV within GW calculations for A3C60, revealing their effect on electron self-energy and band narrowing.

Findings

35% reduction in t1u band width

Plasmon effects significantly influence electron self-energy

Model captures scattering within t1u band

Abstract

The electron self-energy of the t1u states in A3C60 (A=K, Rb) is calculated using the so-called GW approximation. The calculation is performed within a model which considers the t1u charge carrier plasmon at 0.5 eV and takes into account scattering of the electrons within the t1u band. A moderate reduction (35 %) of the t1u band width is obtained.