Band gap narrowing of N-incorporated ZnO (ZnO:N) was achieved by reactive rf magnetron sputtering in O2N2 mixture ambient. ZnO:N films with various band gaps were realized by varying N concentration, which was controlled successfully by varying the rf powers. When rf power was increased to 200W, the ZnO:N films exhibited optical band gaps similar to that of Zn3N2 films. Calculations based on first-principles density-functional theory revealed that the band gap narrowing is caused by the mixing of shallower N 2p states with the valence band of ZnO.

1.
M.
Gratzel
,
Nature (London)
414
,
338
(
2001
).
2.
T.
Bak
,
J.
Nowotny
,
M.
Rekas
, and
C. C.
Sorrell
,
Int. J. Hydrogen Energy
27
,
991
(
2002
).
3.
R.
Asahi
,
T.
Morikawa
,
T.
Ohwaki
,
K.
Aoki
, and
Y.
Taga
,
Science
293
,
269
(
2001
).
4.
S. U. M.
Khan
,
M.
Al-Shahry
, and
W. B.
Ingler
, Jr.
,
Science
297
,
2243
(
2002
).
5.
S.
Sakthivel
and
H.
Kisch
,
Angew. Chem., Int. Ed.
42
,
4908
(
2003
).
6.
T.
Umebayashi
,
T.
Yamaki
,
H.
Itoh
, and
K.
Asai
,
Appl. Phys. Lett.
81
,
454
(
2002
).
7.
K.
Kakiuchi
,
E.
Hosono
, and
S.
Fujihara
,
J. Photochem. Photobiol., A
179
,
81
(
2006
).
8.
T. F.
Jaramillo
,
S. H.
Baeck
,
A.
Kleiman-Shwarsctein
, and
E. W.
McFarland
,
Macromol. Rapid Commun.
25
,
297
(
2004
).
9.
M.
Futsuhara
,
K.
Yoshioka
, and
O.
Takai
,
Thin Solid Films
317
,
322
(
1998
).
10.
B. S.
Li
 et al,
J. Mater. Res.
18
,
8
(
2003
).
11.
Y.
Yan
,
S. B.
Zhang
, and
S. T.
Pantelides
,
Phys. Rev. Lett.
86
,
5723
(
2001
).
12.
M.
Futsuhara
,
K.
Yoshioka
, and
O.
Takai
,
Thin Solid Films
322
,
274
(
1998
).
13.
F. K.
Shan
,
B. I.
Kim
,
G. X.
Liu
,
Z. F.
Liu
,
J. Y.
Sohn
,
W. J.
Lee
,
B. C.
Shin
, and
Y. S.
Yu
,
J. Appl. Phys.
95
,
4772
(
2004
).
14.
K.
Keis
,
L.
Vayssieres
,
H.
Rensmo
,
S. E.
Lindquist
, and
A.
Hagfeldt
,
J. Electrochem. Soc.
148
,
A149
(
2001
).
15.
G.
Kresse
and
J.
Furthmuller
,
Comput. Mater. Sci.
6
,
15
(
1996
).
16.
D.
Vanderbilt
,
Phys. Rev. B
41
,
7892
(
1990
).
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