Abstract
“Ab-initio” calculations of the electronic structure of the heterojunction (001) between cubic CaMnO3 and BaTiO3 perovskites are performed on the basis of density functional theory for different variants of magnetic ordering in calcium manganite. The paper considers some cases of ferromagnetic and antiferromagnetic A-type ordering. Comparison of the total energies of these structures shows that antiferromagnetic ordering in CaMnO3 is the most favorable. All the studied structures in a ferromagnetic state are half-metallic ferromagnets.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
S. M. Dunaevsky and V. V. Deriglazov, Phys. Rev. B 67, 014409-1 (2003).
W. E. Pickett and D. J. Singh, Phys. Rev. B 53, 1146 (1996).
J. Stahn, J. Chakhalian, and Ch. Niedermaye, Phys. Rev. B 71, 140509-1 (2005).
J. Chakhalian, J. W. Freeland, G. Srajer, et al., Nat. Phys. 2, 244 (2006).
A. Hoffmann, S. G. Velthuis, Z. Sefrioui, et al., Phys. Rev. B 72, 140407-1 (2005).
M. J. Calderón, J. Salafranca, and L. Brey, Phys. Rev. B 78, 024415-1 (2008).
P. Giannozzi, S. Baroni, and N. Bonini, J. Phys.: Condens. Matter 21, 395502-1 (2009).
J. H. Park, E. Vescovo, H. J. Kim, et al., Phys. Rev. Lett. 81, 1953 (1996).
S. Dunaevsky and E. Mikhailenko, Mater. Sci. Forum 845, 105 (2016).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © S.M. Dunaevsky, E.K. Mikhailenko, 2018, published in Poverkhnost’, 2018, No. 3.
Rights and permissions
About this article
Cite this article
Dunaevsky, S.M., Mikhailenko, E.K. Magnetic Properties of CaMnO3 Layers on the (100) Surface of BaTiO3. J. Surf. Investig. 12, 200–203 (2018). https://doi.org/10.1134/S1027451018020064
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1027451018020064