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Ab-initio simulations of deformation potentials and electron mobility in chemically modified graphene and two-dimensional hexagonal boron-nitride
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10.1063/1.3665183
/content/aip/journal/apl/99/22/10.1063/1.3665183
http://aip.metastore.ingenta.com/content/aip/journal/apl/99/22/10.1063/1.3665183

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Geometric structures of the considered 2D materials. Graphene sheet with different hydrogen and fluorine coverage: (a) 100%, (b) 75%, (c) 50%, (d) 25%, (e) BN, and (f) BC2N. The primitive cell and the lattice vectors are also shown for each material.

Image of FIG. 2.
FIG. 2.

(Color online) Γ-point LUMO wave function for (a) 100% fluorinated and (b) h-BN. In the picture at the top, the direction of the stretching is depicted (white arrows).

Tables

Generic image for table
Table I.

Density mass ρ, sound velocity Sl , relative effective mass me , and deformation potential E 1 for the considered structures.

Generic image for table
Table II.

Electronic mobility μ of the considered materials along the main directions of symmetry.

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/content/aip/journal/apl/99/22/10.1063/1.3665183
2011-12-01
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ab-initio simulations of deformation potentials and electron mobility in chemically modified graphene and two-dimensional hexagonal boron-nitride
http://aip.metastore.ingenta.com/content/aip/journal/apl/99/22/10.1063/1.3665183
10.1063/1.3665183
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