A comparative first principles study has been carried out for EuLiH3 (ELH) and EuTiO3 (ETO) using the generalized gradient approximation +U approach. While ELH exhibits ferromagnetic ground state for all volumes, the magnetic ground state of ETO has the tendency to switch from G-type antiferromagnetic to a ferromagnetic state with change in volume. The marked difference in magnetic behavior and magnitude of the nearest neighbors exchange interaction of both the compounds are shown to be related to the difference in their respective electronic structure near the Fermi level. The Ti3d states are shown to play predominant role in weakening the strength of the exchange interaction in ETO.

1.
A.
Mauger
and
C.
Godart
,
Phys. Rep.
141
,
51
(
1986
).
2.
L.
Passell
,
O. W.
Dietrich
, and
J.
Als-Nielsen
,
Phys. Rev. B
14
,
4897
(
1976
).
3.
M.
Ishizuka
,
Y.
Kai
,
R.
Akimoto
,
M.
Kobayashi
,
K.
Amaya
, and
S.
Endo
,
J. Magn. Magn. Mater.
166
,
211
(
1997
).
4.
M. W.
Shafer
,
J. Appl. Phys.
36
,
1145
(
1965
).
5.
Chia-Ling
Chien
,
S.
DeBenedetti
, and
F. De S.
Barros
,
Phys. Rev. B
10
,
3913
(
1974
).
6.
T. R.
McGuire
,
M. W.
Shafer
,
R. J.
Joenk
,
H. A.
Alperin
, and
S. J.
Pickart
,
J. Appl. Phys.
37
,
981
(
1966
).
7.
J. E.
Greedan
,
Cahi-Liang
Chien
, and
R. G.
Johnston
,
J. Solid State Chem.
19
,
155
(
1976
).
8.
Chia-Ling
Chien
and
J. E.
Greedan
,
Phys. Lett.
36A
,
197
(
1971
).
9.
J. E.
Greedan
,
J. Phys. Chem. Solids
32
,
819
(
1971
).
10.
T.
Katsufuji
and
H.
Takagi
,
Phys. Rev. B
64
,
054415
(
2001
).
11.
C. J.
Fennie
and
K. M.
Rabe
,
Phys. Rev. Lett.
97
,
267602
(
2006
).
12.
J. D.
Goodenough
,
Magnetism and the Chemical Bond
(
Interscience
,
New York
,
1963
), pp.
146
167
.
13.
T.
Kasuya
,
IBM J. Res. Dev.
14
,
214
(
1970
).
14.
V. I.
Anisimov
,
I. V.
Solovyev
,
M. A.
Korotin
,
M. T.
Czyzyk
, and
G. A.
Sawatzky
,
Phys. Rev. B
48
,
16929
(
1993
).
15.
P.
Larson
and
W. R. L.
Lambrecht
,
J. Phys.: Condens. Matter
18
,
11333
(
2006
).
16.
J.
Kuneš
,
W.
Ku
, and
W. E.
Pickett
,
J. Phys. Soc. Jpn.
74
,
1408
(
2005
).
17.
J.
Kuneš
and
W. E.
Pickett
,
Phys. Rev. B
69
,
165111
(
2004
).
18.
J.
Kuneš
and
R.
Laskowski
,
Phys. Rev. B
70
,
174415
(
2004
).
19.
J.
Kuneš
and
W. E.
Pickett
,
Physica B
359–361
,
205
(
2005
).
20.
R.
Ranjan
,
H. S.
Nabi
, and
R.
Pentcheva
,
J. Phys.: Condens. Matter
19
,
406217
(
2007
).
21.
P.
Blaha
,
K.
Schwarz
,
G. K. H.
Madsen
,
D.
Kvasnicka
, and
J.
Luitz
,
2001 WIEN 2k, An Augmented Plane Wave + Local Orbitals for Calculating Crystal Properties
(
Karlheinz Schwarz, Techn Universität Wien
,
Wien
).
22.
J. P.
Perdew
,
K.
Bruke
, and
M.
Ernzerhof
,
Phys. Rev. Lett.
77
,
3865
(
1996
).
23.
K.
Kugimiya
,
K.
Fujita
,
K.
Tanaka
, and
K.
Hirao
,
J. Magn. Magn. Mater.
310
,
2268
(
2007
).
You do not currently have access to this content.