Abstract
In this study we explore, both from theoretical and experimental side, the effect of Fe doping in ZrO2 (ZrO2:Fe). By means of first principles simulation, we study the magnetization density and the magnetic interaction between Fe atoms. We also consider how this is affected by the presence of oxygen vacancies and compare our findings with models based on impurity band [J.M.D. Coey, M. Venkatesan, C.B. Fitzgerald, Nat. Mater. 4, 173 (2005)] and carrier mediated magnetic interaction [T. Dietl, H. Ohno, F. Matsukura, J. Cibert, D. Ferrand, Science 287, 1019 (2000)]. Experimentally, thin films (≈20 nm) of ZrO2:Fe at high doping concentration are grown by atomic layer deposition. We provide experimental evidence that Fe is uniformly distributed in the ZrO2 by transmission electron microscopy and energy dispersive X-ray mapping, while X-ray diffraction evidences the presence of the fluorite crystal structure. Alternating gradient force magnetometer measurements show magnetic signal at room temperature, however, with low magnetic moment per atom. Results from experimental measures and theoretical simulations are compared.
Similar content being viewed by others
References
H. Ohno, H. Munekata, T. Penny, S. Von Molnar, L.L. Chang, Phys. Rev. Lett. 68, 2664 (1992)
H. Ohno, A. Shen, F. Matsukura, A. Oiwa, A. Endo, S. Katsumoto, Y. Iye, Phys. Rev. Lett. 69, 363 (1996)
N.H. Hong, C.-K. Park, A.T. Raghavender, O. Ciftja, N.S. Bingham, M.H. Phan, H. Srikanth, J. Appl. Phys. 111, 07C302 (2012)
J.M.D. Coey, M. Venkatesan, P. Stamenov, C.B. Fitzgerald, L.S. Dorneless, Phys. Rev. B 72, 024450 (2005)
T.R. Sahoo, S.S. Manoharan, S. Kurian, N.S. Gajhiye, Hyperfine Interaction 188, 43 (2009)
V.V. Kriventsov, D.I. Kochubey, Y.V. Maximov, I.P. Suzdalev, M.V. Tsodikov, J.A. Navio, M.C. Hidalgo, G. Colón, Nucl. Instrum. Meth. Phys. Res. A 470, 341 (2001)
N.H. Hong, J. Sakai, N. Poirot, A. Ruyter, Appl. Phys. Lett. 86, 242505 (2005)
N.H. Hong, N. Poirotet, J. Sakai, Appl. Phys. Lett. 89, 042503 (2006)
Y. Matsumoto et al., Science 291, 854 (2001)
Z.J. Wang, K.J. Tang, L.D. Tung, W.L. Zhou, L. Spinu, J. Appl. Phys. 93, 7870 (2003)
S. Ostanin, A. Ernst, L.M. Sandratskii, P. Bruno, M. Däne, I.D. Hughes, J.B. Staunton, W. Hergert, I. Mertig, J. Kudrnovskỳ, Phys. Rev. Lett. 98, 016101 (2007)
T. Archer, C.D. Pemmaraju, S. Sanvito, J. Magn. Magn. Mater. 316, e188 (2007)
J.M.D. Coey, M. Venkatesan, C.B. Fitzgerald, Nat. Mater. 4, 173 (2005)
T. Dietl, H. Ohno, F. Matsukura, J. Cibert, D. Ferrand, Science 287, 1019 (2000)
K. Sato, L. Bergqvist, J. Kudrnovsky, P.H. Dederichs, O. Eriksson, I. Turek, B. Sanyal, G. Bouzerar, H. Katayama-Yoshida, V.A. Dinh, T. Fukushima, H. Kizaki, R. Zeller, Rev. Mod. Phys. 82, 1633 (2010)
H.P. Gunnlaugsson, T.E. Mlholt, R. Mantovan, H. Masenda, D. Naidoo, W.B. Dlamini, R. Sielemann, K. Baruth-Ram, G. Weyer, K. Johnston, G. Langouche, S. Olafsson, H.P. Gislason, Y. Kobayashi, Y. Yoshida, M. Fanciulli, ISOLDE Collaboration, Appl. Phys. Lett. 97, 142501 (2010)
D. Sangalli, E. Cianci, R. Ciprian, A. Lamperti, M. Perego, A. Debernardi, Phys. Rev. B 87, 085206 (2013)
A. Lamperti, E. Cianci, R. Ciprian, D. Sangalli, A. Debernardi, Thin Solid Films 533, 83 (2013)
A. Lamperti, L. Lamagna, G. Congedo, S. Spiga, J. Electrochem. Soc. 158, G211 (2011)
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, R.M. Wentzcovitch, J. Phys.: Condens. Matter 21, 395502 (2009), http://www.quantum-espresso.org
J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
P. Hohenberg, W. Kohn, Phys. Rev. 136, B864 (1964)
W. Kohn, L.J. Sham, Phys. Rev. 140, A1133 (1965)
D. Vanderbilt, Phys. Rev. B 41, 7892R (1990)
A.M. Rappe, K.M. Rabe, E. Kaxiras, J.D. Joannopoulos, Phys. Rev. B 41, 1227R (1990)
D. Sangalli, A. Debernardi, Phys. Rev. B 84, 214113 (2011)
J.B. Varley, A. Janotti, C. Franchini, C.G. Van de Walle, Phys. Rev. B 85, 081109R (2012)
International Crystal Structure Database, FIZ Karlsruhe and NIST ed., Release 2010 Code #68589 (t-ZrO2)
A. Kokalj, Comp. Mater. Sci. 28, 155 (2003)
Author information
Authors and Affiliations
Corresponding author
Additional information
Contribution to the Topical Issue “New Trends in Magnetism and Magnetic Materials”, edited by Francesca Casoli, Massimo Solzi and Paola Tiberto.
Rights and permissions
About this article
Cite this article
Sangalli, D., Cianci, E., Lamperti, A. et al. Exploiting magnetic properties of Fe doping in zirconia. Eur. Phys. J. B 86, 211 (2013). https://doi.org/10.1140/epjb/e2013-30669-3
Received:
Revised:
Published:
DOI: https://doi.org/10.1140/epjb/e2013-30669-3