The ab initio calculations of the electronic structure and magnetic properties of the (110) interface between Co2YZ (Y = Cr or Mn and Z = Al, Si, or Ge) and GaAs are carried out by means of the density functional theory depending on the contact configuration. It is revealed that two of four possible atomic interface configurations have high spin polarization. For Co2MnSi/GaAs(110), one of the contacts has almost 100% spin polarization. Calculations of the adhesion energy on the interfaces allow the most stable contacts to be established.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
G. A. Wijs and R. A. de Groot, Phys. Rev., B64, R020402 (2001).
A. Debernardi, M. Peressi, and A. Baldereshi, Mater. Sci. Eng., 23, 743 (2003).
I. Galanakis, M. Ležaić, G. Bihlmayer, and S. Blügel, Phys. Rev., B71, 214431 (2005).
S. V. Eremeev, S. S. Kulkov, and S. E. Kulkova, Fiz. Tverd. Tela, 50, No. 2, 250 (2008).
S. Picozzi, A. Continenza, and A. J. Freeman, J. Phys. Chem. Solids, 64, 1697 (2003).
S. Picozzi, A. Continenza, and A. J. Freeman, J. Appl. Phys., 94, 4723 (2003).
S. E. Kulkova, S. V. Eremeev, and S. S. Kulkov, Solid State Commun., 130, 793 (2004).
I. Galanakis, J. Phys.: Cond. Matter, 16, 8007 (2004).
S. Hashemifar, P. Kratzer, and M. Scheffler, Phys. Rev. Lett., 94, 96402 (2005).
K. Nagao, Y. Miura, and M. Shirai, Phys. Rev., B73, 104447 (2006).
A. V. Bakulin, S. V. Eremeev, and S. E. Kulkova, in: Materials of the Fifth All-Russian Young Scientist Conf. “Physics and Chemistry of High-Energy Systems” [in Russian], Tomsk (2009), p. 20.
G. Kresse and J. Hafner, Phys. Rev., B47, 558 (1993).
G. Kresse and J. Hafner, Phys. Rev., B49, 14251 (1994).
G. Kresse and J. Furthmüller, Comput. Mat. Sci., 6, 15 (1996).
G. Kresse and J. Furthmüller, Phys. Rev., B54, 11169 (1996).
J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 77, 3865 (1996).
G. Kresse and D. Joubert, Phys. Rev., B59, 1758 (1999).
P. E. Blöchl, Phys. Rev., 50, 17953 (1994).
I. Galanakis, J. Phys.: Cond. Matter, 16, 8007 (2004).
S. Picozzi and A. J. Freeman, J. Phys.: Cond. Matter, 19, 315215 (2007).
Author information
Authors and Affiliations
Corresponding author
Additional information
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 14–19, March, 2010.
Rights and permissions
About this article
Cite this article
Bakulin, A.V., Eremeev, S.V. & Kulkova, S.E. Theoretical investigations of the (110) interface between the full Heusler alloys and GaAs. Russ Phys J 53, 225–230 (2010). https://doi.org/10.1007/s11182-010-9408-z
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11182-010-9408-z