Tunable electronic properties of Pt-doped zigzag graphene nanoribbons

Author

Hu, Xue Hui ; Xu, Jimmy M. ; Bi, H.C. ; Sun, Chao ; Sun, L.T.

Author_Institution

Key Lab. of MEMS of Minist. of Educ., Southeast Univ., Nanjing, China

fYear

2010

fDate

14-16 Oct. 2010

Firstpage

640

Lastpage

641

Abstract

In this work, a careful study on the electronic properties of 6-ZGNR with Pt doping at different sites using density functional theory, implemented in the CASTEP code was reported. Five different substitutional sites from the center to the edge of the 6-ZGNR were considered. The computational result indicates the antiferromagnetic (AFM) state is the most favorable for all the structures. So the band structure and spin density of the AFM ground state were presented.

Keywords

antiferromagnetic materials; atomic force microscopy; band structure; density functional theory; doping; graphene; ground states; nanostructured materials; platinum; spin polarised transport; 6-ZGNR; AFM ground state; C:Pt; CASTEP code; Pt doping; antiferromagnetic state; band structure; density functional theory; spin density; substitutional sites; tunable electronic properties; zigzag graphene nanoribbons; Doping;

fLanguage

English

Publisher

ieee

Conference_Titel

Vacuum Electron Sources Conference and Nanocarbon (IVESC), 2010 8th International

Conference_Location

Nanjing

Print_ISBN

978-1-4244-6645-0

Type

conf

DOI

10.1109/IVESC.2010.5644163

Filename

5644163

Link To Document

https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=3215446