Calculated Cleavage Behavior and Surface States of LaOFeAs

TL;DR

This paper uses density functional theory to analyze the cleavage behavior and surface electronic states of LaOFeAs, revealing distinct two-dimensional surface bands that differ from the bulk structure, impacting surface-sensitive experiments.

Contribution

It provides a detailed computational study of surface states and cleavage behavior in LaOFeAs, highlighting their unique two-dimensional electronic features.

Findings

Surface states form two-dimensional bands with unique Fermi surfaces.

Surface electronic structure markedly differs from bulk.

Surface states influence surface-sensitive experimental probes.

Abstract

The layered structure of the iron based superconductors gives rise to a more or less pronounced two-dimensionality of their electronic structure, most pronounced in LaOFeAs. A consequence are distinct surface states to be expected to influence any surface sensitive experimental probe. In this work a detailed density functional analysis of the cleavage behavior and the surface electronic structure of LaOFeAs is presented. The surface states are obtained to form two-dimensional bands with their own Fermi surfaces markedly different from the bulk electronic structure.