Strain Effect on Electronic Structure and Work Function in α-Fe2O3 Films
We investigate the electronic structure and work function modulation of α-Fe2O3 films by strain based on the density functional method. We find that the band gap of clean α-Fe2O3 films is a function of the strain and is influenced significantly by the element termination on the surface. The px and p...
Main Authors: | , , , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2017-03-01
|
Series: | Materials |
Subjects: | |
Online Access: | http://www.mdpi.com/1996-1944/10/3/273 |