Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors

Yong Hua Li, Aron Walsh, Shiyou Chen, Wan Jian Yin, Ji Hui Yang, Jingbo Li, Juarez L.F. Da Silva, X. G. Gong, Su Huai Wei

Research output: Contribution to journalArticlepeer-review

92 Scopus citations

Abstract

Using an all-electron band structure approach, we have systematically calculated the natural band offsets between all group IV, III-V, and II-VI semiconductor compounds, taking into account the deformation potential of the core states. This revised approach removes assumptions regarding the reference level volume deformation and offers a more reliable prediction of the "natural" unstrained offsets. Comparison is made to experimental work, where a noticeable improvement is found compared to previous methodologies.

Original languageEnglish
Article number212109
JournalApplied Physics Letters
Volume94
Issue number21
DOIs
StatePublished - 2009

Fingerprint

Dive into the research topics of 'Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors'. Together they form a unique fingerprint.

Cite this