The formation of metallic interface states between the two band insulators LaGaO3 and SrTiO3 is studied by the full-potential linearized augmented plane-wave method based on density functional theory. Structural optimization of the atomic positions points to only small changes of the chemical bonding at the interface. The n-type (LaO/TiO2) and p-type (GaO2/SrO) interfaces turn out to be metallic. Reduction of the O content increases the conductivity of the n-type interface, while the p-type interface can be turned gradually from a hole doped into an electron doped state.

1.
J. B.
Neaton
and
K. M.
Rabe
,
Appl. Phys. Lett.
82
,
1586
(
2003
).
2.
A.
Brinkman
 et al,
Nature Mater.
6
,
493
(
2007
).
3.
J. L.
Maurice
 et al,
Phys. Status Solidi A
203
,
2209
(
2006
).
4.
A.
Ohtomo
and
H. Y.
Hwang
,
Nature (London)
427
,
423
(
2004
).
5.
N.
Nakagawa
 et al,
Nature Mater.
5
,
204
(
2006
).
6.
G.
Herranz
 et al,
Phys. Rev. Lett.
98
,
216803
(
2007
).
7.
W.
Siemons
 et al,
Phys. Rev. Lett.
98
,
196802
(
2007
).
8.
A.
Kalabukhov
 et al,
Phys. Rev. B
75
,
121404
R
(
2007
).
9.
10.
S.
Okamoto
and
A. J.
Millis
,
Nature
428
,
630
(
2004
).
11.
S.
Okamoto
 et al,
Phys. Rev. Lett.
97
,
056802
(
2006
).
12.
S. S.
Kancharla
and
E.
Dagotto
,
Phys. Rev. B
74
,
195427
(
2006
).
13.
T.
Fix
 et al,
Phys. Rev. Lett.
103
,
166802
(
2009
).
14.
C.
Bell
 et al,
Phys. Rev. Lett.
103
,
226802
(
2009
).
15.
C.
Bell
 et al,
Appl. Phys. Lett.
94
,
222111
(
2009
).
16.
M. B.
Shalom
 et al,
Phys. Rev. Lett.
104
,
126802
(
2010
).
17.
A.
Dubroka
 et al,
Phys. Rev. Lett.
104
,
156807
(
2010
).
18.
B.
Liu
and
X.
Hu
,
Phys. Rev. B
81
,
144504
(
2010
).
19.
R.
Pentcheva
and
W. E.
Pickett
,
J. Phys: Condens. Matter
22
,
043001
(
2010
).
20.
P.
Perna
 et al,
Appl. Phys. Lett.
97
,
152111
(
2010
).
21.
C.
Aruta
 et al,
Appl. Phys. Lett.
97
,
252105
(
2010
)
22.
M.
Huijben
 et al,
Adv. Mater.
21
,
1665
(
2009
).
23.
M. S.
Park
 et al,
Phys. Rev. B
74
,
205416
(
2006
).
24.
R.
Pentcheva
and
W. E.
Pickett
,
Phys. Rev. B
74
,
035112
(
2006
).
25.
P.
Blaha
 et al,
WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties
(
TU Vienna
,
Vienna
,
2001
).
26.
S.
Nazir
 et al,
Appl. Phys. Lett.
98
,
133114
(
2011
).
27.
S.
Nazir
 et al,
Phys. Rev. B
83
,
113107
(
2011
).
28.
M.
Djermouni
 et al,
Comput. Mater. Sci.
25
,
478
(
2002
).
29.
K.
Nassau
and
A. E.
Miller
,
J. Cryst. Growth
91
,
373
(
1988
).
30.
U.
Schwingenschlögl
and
C.
Schuster
,
EPL
86
,
27005
(
2009
)
U.
Schwingenschlögl
 et al and
C.
Schuster
 et al,
Chem. Phys. Lett.
467
,
354
(
2009
)
U.
Schwingenschlögl
 et al and
C.
Schuster
 et al,
EPL
81
,
17007
(
2008
).
31.
R.
Pentcheva
and
W. E.
Pickett
,
Phys. Rev. Lett.
102
,
107602
(
2009
).
32.
K.
Janicka
 et al,
J. Appl. Phys.
103
,
07B508
(
2008
).
You do not currently have access to this content.