Electronic structures and optical properties of TM (Cr, Mn, Fe or Co) atom doped ZnSe nanosheets

The electronic structures and optical properties of pristine and transition-metal (TM) atom doped ZnSe nanosheets (ZnSeNSs) have been studied based on first-principles calculations. The results indicate that the pristine ZnSeNSs are nonmagnetic direct gap semiconductors, while Mn, Fe or Co doped ZnS...

Full description

Saved in:
Bibliographic Details
Published in:RSC advances 2015-01, Vol.5 (128), p.16227-16233
Main Authors: Chen, Xin-Lian, Huang, Bao-Jun, Feng, Yong, Wang, Pei-Ji, Zhang, Chang-Wen, Li, Ping
Format: Article
Language:English
Subjects:
Absorption
Atomic structure
Electronic structure
Iron
Manganese
Nanostructure
Optical properties
Semiconductors
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The electronic structures and optical properties of pristine and transition-metal (TM) atom doped ZnSe nanosheets (ZnSeNSs) have been studied based on first-principles calculations. The results indicate that the pristine ZnSeNSs are nonmagnetic direct gap semiconductors, while Mn, Fe or Co doped ZnSeNSs are all spin-polarized, and the Cr doped one is half-metallic with 100% spin-polarized currents. Cr or Co doped ZnSeNSs can improve the absorption properties and broaden the absorption range, compared to pristine, Fe or Mn doped ZnSeNSs. Moreover, red-shift phenomena are observed. These results can provide an important reference for designing and fabricating infrared and visible photoelectric nanodevices. The electronic structures and optical properties of pristine and transition-metal (TM) atom doped ZnSe nanosheets (ZnSeNSs) have been studied based on first-principles calculations.
ISSN:2046-2069
2046-2069
DOI:10.1039/c5ra20223j