Abstract
Recent experimental results have depicted a strong modification of the magnetic map when oxygen is added to Fe/Cr multilayers. Within ab initio DFT + U code we show that the Fe/O/Cr/Fe(001) semi-infinite system is unstable whereas oxygen tends to move on top of the Fe atomic layer. Focuss is therefore made on the O/Fe/Cr/Fe(001) semi-infinite slab which displays an interlayer exchange coupling different from the classical case when O is absent. The effect of the oxygen adsorbed layer is to alter strongly the local density of states on the Fe atoms: this can explain the modification of the interlayer exchange coupling. Both DFT-only and DFT + U approaches are investigated in order to point out the major effect of U on the magnetic polarization.
Graphical abstract
Similar content being viewed by others
References
M.N. Baibich, J.M. Broto, A. Fert, F. Nguyen Van Dau, F. Petroff, P. Eitenne, G. Creuzet, A. Friederich, J. Chazelas, Phys. Rev. Lett. 61, 2472 (1988)
G. Binasch, P. Grüberg, F. Saurenbach, W. Zinn, Phys. Rev. B 39, 4828 (1989)
D. Stoeffler, F. Gautier, Prog. Theor. Phys. Suppl. 101, 139 (1990)
F. Herman, J. Sticht, M. Van Schilfgaarde, J. Appl. Phys. 69, 4783 (1991)
A. Vega, A. Rubio, C. Balbas, J. Dorantes-Davila, S. Bouarab, C. Demangeat, H. Dreyssé, J. Appl. Phys. 69, 4544 (1991)
R. Lebrun, A. Ross, S.A. Bender, A. Qaiumzadeh, L. Baldrati, J. Cramer, A. Brataas, R.A. Duine, M. Kläui, Nature 561, 222 (2018)
S.M. Rezende, Nature 561, 181 (2018)
A. Calloni, G. Fratesi, S. Achilli, G. Berti, G. Bussetti, A. Picone, A. Brambilla, P. Folegati, F. Ciccacci, L. Duò, Phys. Rev. B 96, 085427 (2017)
P. Gianozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A.D. Corso, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L.M.S. Colomer, N. Marzari, F. Mauri, 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)
A. Picone, G. Fratesi, A. Brambilla, P. Sessi, F. Donati, S. Achilli, L. Maini, M.I. Trioni, C.S. Casari, M. Passoni, A. Li Bassi, M. Finazzi, L. Duò, F. Ciccacci, Phys. Rev. B 81, 115450 (2010)
A. Picone, G. Fratesi, M. Riva, G. Bussetti, A. Calloni, A. Brambilla, M.I. Trioni, L. Duò, F. Ciccacci, F. Finazzi, Phys. Rev. B 87, 085403 (2013)
R.E. Félix-Medina, M.A. Leyva-Lucero, S. Meza-Aguilar, C. Demangeat, Eur. Phys. J. B 91, 62 (2018)
P. Hohenberg, W. Kohn, Phys. Rev. 136, B864 (1964)
W. Kohn, L.J. Sham, Phys. Rev. 140, A1133 (1965)
V.I. Anisimov, I.V. Solovyev, M.A. Korotin, M.T. Czyźyk, G.A. Sawatzky, Phys. Rev. B 48, 16929 (1993)
A.I. Liechtenstein, V.I. Anisimov, J. Zaanen, Phys. Rev. B 52, R5467 (1995)
S. Lany, Phys. Rev. B 87, 085112 (2013)
J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher’s Note
The EPJ Publishers remain neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Meza-Aguilar, S., Demangeat, C. Unraveling the effect of oxygen on the magnetic map of Fe/Cr multilayers. Eur. Phys. J. B 93, 107 (2020). https://doi.org/10.1140/epjb/e2020-10043-4
Received:
Revised:
Published:
DOI: https://doi.org/10.1140/epjb/e2020-10043-4