Ab-initio simulations of deformation potentials and electron mobility in chemically modified graphene and two-dimensional hexagonal boron-nitride

被引:396
|
作者
Bruzzone, Samantha [1 ]
Fiori, Gianluca [1 ]
机构
[1] Univ Pisa, Dipartimento Ingn Informaz Elettron Informat Tele, I-56122 Pisa, Italy
关键词
boron compounds; deformation; density functional theory; electron mobility; electron-phonon interactions; fluorine; graphene; hydrogen;
D O I
10.1063/1.3665183
中图分类号
O59 [应用物理学];
学科分类号
摘要
We present an ab-initio study of electron mobility and electron-phonon coupling in chemically modified graphene, considering fluorinated and hydrogenated graphene at different percentage coverage. Hexagonal boron carbon nitrogen is also investigated due the increased interest shown by the research community towards this material. In particular, the deformation potentials are computed by means of density functional theory, while the carrier mobility is obtained according to the Takagi model (S. Takagi, A. Toriumi, and H. Tango, IEEE Trans. Electron Devices 41, 2363 (1994)). We will show that graphene with a reduced degree of hydrogenation can compete, in terms of mobility, with silicon technology. (C) 2011 American Institute of Physics. [doi:10.1063/1.3665183]
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页数:3
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