First-principles study of FeSe epitaxial films on SrTiO_3  

作　　者：刘凯 高淼 卢仲毅 向涛 

机构地区：[1]Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices,Renmin University of China [2]Institute of Physics, Chinese Academy of Sciences

出　　处：《Chinese Physics B》2015年第11期10-14,共5页中国物理B（英文版）

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.11190024 and 11404383);the National Basic Research Program of China(Grant No.2011CBA00112);the Fundamental Research Funds for the Central Universities,China;the Research Funds of Renmin University of China(Grant No.14XNLQ03)

摘　　要：The discovery of high temperature superconductivity in FeSe films on SrTiO3 substrate has inspired great experimen- tal 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, emphasiz- ing 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.The discovery of high temperature superconductivity in FeSe films on SrTiO3 substrate has inspired great experimen- tal 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, emphasiz- ing 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.

关 键 词：iron-based superconductor first-principles calculations epitaxial film 

分 类 号：O511.3[一般工业技术—材料科学与工程]