MsSpec-DFM (Dielectric function module): Towards a multiple scattering approach to plasmon description

TL;DR

The paper introduces MsSpec-DFM, a versatile computational module for calculating dielectric functions across various materials and models, incorporating advanced methods to improve accuracy in plasmon and electron gas descriptions.

Contribution

The MsSpec-DFM module integrates multiple advanced models and correction methods for dielectric function calculation, enabling comprehensive analysis of diverse materials.

Findings

Supports a wide range of materials including metals, semiconductors, and quantum structures.

Incorporates local field corrections and hydrodynamical methods for enhanced accuracy.

Prepares for application to various complex materials through form factors.

Abstract

We present here the MsSpec Dielectric Function module (MsSpec-DFM), which generates dielectric functions in an electron gas or a liquid, either isolated or embedded into an environment. In addition to standard models such as the plasmon pole and the RPA, this module also provides more involved methods incorporating local field corrections (in order to account for correlations), Boltzmann-Vlasov hydrodynamical methods, the relaxation-damped Mermin and the diffusion-damped Hu-O'Connell methods, as well as moment-based methods using either a Nevanlinna function or a memory function. Ultimately, through the use of form factors, the MsSpec-DFM module will be able to address a wide range of materials such as metals, semiconductors, including inversion layers, hetero-structures, superconductors, quantum wells, quantum wires, quantum dots, Dirac materials such as graphene, and liquids.