Electronic properties of the pristine/hydrogenated germanene are investigated by means of first principles calculations. Our calculation shows interesting results where the electronic properties of the hydrogenated germanene exhibit semiconductor with a direct band gap. It is interesting because pristine germanene (germanium analogue to graphene) has semi-metal properties with zero band gap. We also obtained that the band gap of hydrogenated germanene was influenced by the hydrogen (H) concentration, it is decreasing non-linearly as the H concentration decreased. As 100 percent concentration of H applied on top and bottom layer of germanene, the band gap is 1.41 eV. The pairing of the pz-orbital of Ge with the s-orbital of H gave contribution to the band gap of hydrogenated germanene. External electrical field is also can be applied to open the band gap. The band gap increasing linearly when the external electrical field increased on pristine germanene. The external electrical field no longer effect the band gap when it applied to the hydrogenated germanene.

1.
A. K.
Geim
, and
K. S.
Novoselov
,
Nat. Mater.
6
,
183
191
(
2007
).
2.
S.
Lebègue
, and
O.
Eriksson
,
Phys. Rev. B
79
,
115409
(
2009
).
3.
S.
Cahangirov
 et. al.,
Phys. Rev. Lett.
102
,
236804
(
2009
).
4.
H.
Sahin
 et. al.,
Phys. Rev. B
80
,
155453
(
2009
).
5.
B.
Aufray
 et. al.,
Applied Physics Letters
96
(
2010
).
6.
P.
De Padova
 et. al.,
Applied Physics Letters
96
(
2010
).
7.
W.
Hu
 et. al.,
Chem. Chem. Phys.
16
,
6957
(
2014
).
8.
M.
Houssa
 et. al.,
Applied Physics Letters
96
(
2010
).
9.
E.
Scalise
 et. al.,
Nano Research
6
,
19
28
(
2013
)
10.
M.
Houssa
 et. al.,
Applied Physics Letters
98
(
2011
).
11.
H.
Gao
 et. al.,
J. Phys. Chem. C
115
,
3236
(
2011
)
This content is only available via PDF.
You do not currently have access to this content.