Electronic structure of ZnO(0001)/AgBr(111) heterojunction interface based on the TB-mBJ approximation

Mahsa Pirhashemi, Ali Tavana () and Aziz Habibi-Yangjeh
Additional contact information
Mahsa Pirhashemi: University of Mohaghegh Ardabili
Ali Tavana: AMDM Lab., Department of Physics, University of Mohaghegh Ardabili
Aziz Habibi-Yangjeh: University of Mohaghegh Ardabili

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, vol. 91, issue 12, 1-9

Abstract: Abstract In this paper, we investigate the electronic structure of the ZnO and the AgBr semiconductors, in bulk and thin slab structures and in ZnO(0001)/AgBr(111) heterojunction interface, based on full-potential density functional theory and using the Tran and Blaha modified Beck Johnson potential. We obtain energy band gaps in excellent agreement with experiments. By analyzing the surface and interface states, it is found out that there is a wide two-dimensional n-type s-band at the surface of the nano-structures which grabs electrons from the bulk valence p–d band. The build-up potential at the interface is also determined which is 2.3 eV, higher at the AgBr side. Graphical abstract

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2018
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://link.springer.com/10.1140/epjb/e2018-90037-5 Abstract (text/html)
Access to the full text of the articles in this series is restricted.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:91:y:2018:i:12:d:10.1140_epjb_e2018-90037-5

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/e2018-90037-5

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().