Title :
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
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;
Conference_Titel :
Vacuum Electron Sources Conference and Nanocarbon (IVESC), 2010 8th International
Conference_Location :
Nanjing
Print_ISBN :
978-1-4244-6645-0
DOI :
10.1109/IVESC.2010.5644163
