First-principles study of FeSe epitaxial films on SrTiO3

TL;DR

This paper reviews first-principles calculations of FeSe films on SrTiO3, focusing on electronic, magnetic, and interfacial properties relevant to high-temperature superconductivity.

Contribution

It provides a comprehensive review of computational studies on FeSe/SrTiO3 interfaces, highlighting the interplay of charge, spin, and lattice effects in superconductivity.

Findings

Electronic and magnetic structures of FeSe films analyzed

Comparison between monolayer and bilayer FeSe on SrTiO3

Insights into interfacial effects on superconductivity

Abstract

The discovery of high temperature superconductivity in FeSe films on SrTiO3 substrate has inspired great experimental and theoretical interests. First-principles density functional theory calculations, which have played an important role in the study of bulk iron-based superconductors, also participate in the investigation of interfacial superconductivity. In this article, we review the calculation results on the electronic and magnetic structures of FeSe epitaxial films, emphasizing on the interplay between different degrees of freedom, such as charge, spin, and lattice vibrations. Furthermore, the comparison between FeSe monolayer and bilayer films on SrTiO3 is discussed.