First principle calculations of zinc blende superlattice surfaces and multilayers with ferromagnetic dopants

• Autorzy: Wronka A.
• Konferencja: Conference New Materials for Magnetoelectronics, Będlewo, 3-6 May 2006
• Języki publikacji: EN

Abstrakty

EN

In order to understand conditions for appearance of half-metallicity in MnAs/AsGa(001) digital alloy superlattices, we calculated the electronic and magnetic structure of zinc blende multilayers in various ab initio supercell geometries for ferromagnetic dopants (Fe, Cr). The bulk atomic structure model is extended allowing consideration of the surface ferromagnetic metal monolayer (Fe, Cr) in the slab approximation. The calculations were performed using the density functional theory (DFT) method within the full-potential and linearized augmented plane-wave (LAPW) approach. This work presents detailed information about total and atom projected density of states (DOS) functions in the surface region of the investigated systems. Our interest was to look for common trends and differences in the electronic structures for different locations of ferromagnetic adatoms and surface monolayer (Fe, Cr) in the zinc blende digital alloy surfaces and multilayers.

Słowa kluczowe

EN

digital ferromagnetic heterostructure; density functional theory; half-metal

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2007
• Tom: Vol. 25, No. 2
• Strony: 527--532
• Opis fizyczny: Bibliogr. 10 poz.

Twórcy

autor

Wronka A.

• Department of Solid State Physics, University of Łódź, ul. Pomorska 149/153, 90-236 Łódź, Poland

Bibliografia

• [1] PEARTON S.J., ABERNATHY C.R., NORTON D.P., HEBART A.F., PARK Y.D., BOATNER L.A., BUDAI J.D., Mat. Sci. Eng. R, 40 (2003), 137.
• [2] DIETL T., Europhysics News, 34 (2003), 216.
• [3] OHNO H., CHIBA D., MATSUKURA F., OMIYA T., ABE E., DIETL T., OHNO Y., OHTANI K., Nature, 408 (2000), 944.
• [4] SANVITO S., HILL N.A., Phys. Rev. Lett., 87 (2001), 267202-1.
• [5] QIAN M.C., FONG C.Y., PICKETT W.E., PASK J.E., YANG L.H., DAG S., Phys. Rev. B, 71 (2005), 012414-1.
• [6] KANG B.-S., CHUANG J.-S., KANG H.-J., OH S.-K., Phys. Stat. Sol. (b), 242 (2005), 2447.
• [7] WRONKA A., Mater. Sci.-Poland, 24 (2006), 725.
• [8] BLAHA P., SCHWARZ K., MADSEN G., KVASNICKA D., LUITZ J., WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, Karlheinz Schwarz, Techn. Universität Wien, Austria, 2001. ISBN 3-9501031-1-2.
• [9] MIZUGUCHI M., AKINAGA H., MANAGO T., ONO K., OSHIMA M., SHIRAI M., YURI M., J.LIN H., HSIEH H.H., HEN C.T., J. Appl. Phys., 91 (2002), 7917.
• [10] HANEDA S., YAMURA M., HARA K., MUNEKATA H., J. Vac. Sci. Technol. B, 18 (2000), 1.