Chemical doping-induced gap opening and spin polarization in graphene

Autor:	Guerini, I. Zanella S., Fagan, S. B., Filho, J. Mendes, Filho, A. G. Souza
Rok vydání:	2007
Předmět:	Condensed Matter - Materials Science
Druh dokumentu:	Working Paper
Popis:	By using first principles calculations we report a chemical doping induced gap in graphene. The structural and electronic properties of CrO$_3$ interacting with graphene layer are calculated using ab initio methods based on the density functional theory. The CrO$_3$ acts as an electron acceptor modifying the original electronic and magnetic properties of the graphene surface through a chemical adsorption. The changes induced in the electronic properties are strongly dependent of the CrO$_3$ adsorption site and for some sites it is possible to open a gap in the electronic band structure. Spin polarization effects are also predicted for some adsorption configurations. Comment: 9 pages, 2 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/0711.1131 Zobrazit plný text záznamu View this record from Arxiv