The electronic and magnetic properties of the cubic pyrite interface are studied using the all-electron full-potential linearized augmented plane wave method. We find that this contact between a ferromagnetic metal and a nonmagnetic semiconductor shows a metallic character. The stays close to half-metallicity at the interface, while the becomes metallic. The magnetic moment of the Co atoms at the interface slightly decreases as compared to the bulk value and a small moment is induced on the Fe atoms. Furthermore, at the interface ferromagnetic ordering is found to be energetically favorable as compared to antiferromagnetic ordering.
REFERENCES
1.
B. R. K.
Nanda
, S.
Satpathy
, and M. S.
Springborg
, Phys. Rev. Lett.
98
, 216804
(2007
).2.
U.
Schwingenschlögl
and C.
Schuster
, EPL
86
, 27005
(2009
);U.
Schwingenschlögl
and C.
Schuster
, Chem. Phys. Lett.
467
, 357
(2009
).3.
N.
Ogawa
, T.
Satoh
, Y.
Ogimoto
, and K.
Miyano
, Phys. Rev. B
80
, 241104
(R) (2009
).4.
U.
Lüders
, W. C.
Sheets
, A.
David
, W.
Prellier
, and R.
Frésard
, Phys. Rev. B
80
, 241102
(R) (2009
).5.
T.
Sekiguchi
, T.
Miyadai
, and K.
Manabe
, J. Magn. Magn. Mater.
28
, 154
(1982
).6.
J. A.
Wilson
, Adv. Phys.
21
, 143
(1972
).7.
V. N.
Antonov
, L. P.
Germash
, A. P.
Shpak
, and A. N.
Yaresko
, Phys. Status Solidi B
246
, 411
(2009
).8.
D. O.
Demchenko
and A. Y.
Liu
, Phys. Rev. B
73
, 115332
(2006
).9.
P.
Blaha
, K.
Schwarz
, G.
Madsen
, D.
Kvasicka
, and J.
Luitz
, WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties
(Technical University of Vienna
, Vienna
, 2001
).10.
S. K.
Kwon
, S. J.
Youn
, and B. I.
Min
, Phys. Rev. B
62
, 357
(2000
).11.
W. W.
Kou
and M. S.
Seehra
, Phys. Rev. B
18
, 7062
(1978
).12.
G. L.
Zhao
, J.
Callaway
, and M.
Hayashibara
, Phys. Rev. B
48
, 15781
(1993
).13.
M.
Ogura
and H.
Akai
, J. Phys.: Condens. Matter
19
, 365215
(2007
).14.
K.
Laajalehto
, I.
Kartio
, and E.
Suoninen
, Int. J. Min. Process.
51
, 163
(1997
).15.
A. K.
Abass
, Z. A.
Ahmed
, and R. E.
Tahir
, J. Appl. Phys.
61
, 2339
(1987
).16.
V. V.
Nemoshkalenko
, V. P.
Krivitsky
, L. I.
Nikolaev
, and A. P.
Shpak
Dopov. Akad. Nauk Ukr. RSR, Ser. A: Fiz.-Tekh. Mat. Nauki
12
, 1112
(1974
).17.
Y. S.
Horn
, S.
Osmialowski
, and Q. C.
Horn
, J. Electrochem. Soc.
149
, A1547
(2002
).18.
H. S.
Jarrett
, W. H.
Cloud
, R. J.
Bouchard
, S. R.
Butler
, C. G.
Frederick
, and J. L.
Gillson
, Phys. Rev. Lett.
21
, 617
(1968
).19.
K.
Adachi
, K.
Sato
, and M.
Takeda
, J. Phys. Soc. Jpn.
26
, 631
(1969
).20.
H.
Hiraka
, M.
Matsuura
, K.
Yamada
, and Y.
Endoh
, Physica B
237
, 478
(1997
).21.
N.
Wu
, Y. B.
Losovyj
, D.
Wisbey
, K.
Belashchenko
, M.
Manno
, L.
Wang
, C.
Leighton
, and P. A.
Dowben
, J. Phys.: Condens. Matter
19
, 156224
(2007
).22.
E. D.
Stevens
, M. L.
Delucia
, and P.
Coppens
, Inorg. Chem.
19
, 813
(1980
).© 2010 American Institute of Physics.
2010
American Institute of Physics
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