Full Relativistic Electronic Structure and Fermi Surface Sheets of the First Honeycomb-Lattice Pnictide Superconductor SrPtAs

TL;DR

This study uses advanced DFT calculations to analyze the electronic structure and Fermi surface of SrPtAs, the first honeycomb-lattice pnictide superconductor, providing insights and predictions for future experiments.

Contribution

It presents the first comprehensive ab initio analysis of SrPtAs's electronic properties, including band structure and Fermi surface topology, based on full-potential DFT methods.

Findings

Electronic bands and density of states characterized.

Fermi velocities and Fermi surface topology determined.

Predictions made to guide future experimental investigations.

Abstract

We report full-potential density functional theory (DFT)-based {\it ab initio} band structure calculations to investigate electronic structure properties of the first pnictide superconductor with a honeycomb-lattice structure: SrPtAs. As a result, electronic bands, density of states, Fermi velocities and the topology of the Fermi surface for SrPtAs are obtained. These quantities are discussed in comparison to the first available experimental data. Predictions for future measurements are provided.