Structural, electronic and magnetic properties of metal/semiconductor superlattices: Fe/ZnSe(001)

A. Continenza; S. Massidda; A. J. Freeman

doi:10.1016/0304-8853(89)90267-9

Structural, electronic and magnetic properties of metal/semiconductor superlattices: Fe/ZnSe(001)

A. Continenza^*, S. Massidda, A. J. Freeman

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

The structural, electronic and magnetic properties of a 1 × 1 (monolayer) Fe/ZnSe (001) superlattice are investigated using the highly precise all-electron spin-polarized full-potential linearized augmented plane wave (FLAPW) method. The equilibrium distance between Fe and Se is determined using a total energy approach. Band structure, density of states, and charge and spin density distributions are analyzed and compared with the calculated results for ZnSe bulk and an Fe free film surface. Both the magnetic hyperfine field and the magnetic moment on the Fe sites are studied as a function of Fe-Se distance. The magnetic properties of Fe are found to be remarkably enhanced with respect to the bulk values.

Original language	English (US)
Pages (from-to)	195-202
Number of pages	8
Journal	Journal of Magnetism and Magnetic Materials
Volume	78
Issue number	2
DOIs	https://doi.org/10.1016/0304-8853(89)90267-9
State	Published - Feb 1989

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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title = "Structural, electronic and magnetic properties of metal/semiconductor superlattices: Fe/ZnSe(001)",

abstract = "The structural, electronic and magnetic properties of a 1 × 1 (monolayer) Fe/ZnSe (001) superlattice are investigated using the highly precise all-electron spin-polarized full-potential linearized augmented plane wave (FLAPW) method. The equilibrium distance between Fe and Se is determined using a total energy approach. Band structure, density of states, and charge and spin density distributions are analyzed and compared with the calculated results for ZnSe bulk and an Fe free film surface. Both the magnetic hyperfine field and the magnetic moment on the Fe sites are studied as a function of Fe-Se distance. The magnetic properties of Fe are found to be remarkably enhanced with respect to the bulk values.",

author = "A. Continenza and S. Massidda and Freeman, {A. J.}",

note = "Funding Information: We are gratefutl o G. Prinz for suggestintgh is study and for critical commentsW. ork supported by the National ScienceF oundation\[ througthh e NorthwesterUn niversityM aterialCenter, Grant No. DMR85-20280a nd by a grant of CRAY supercomputintgim e from its D.i vision of Advanced Scientific Computing at the National Center for SupercomputeArp plicationsat the Universityo f Illinois, Urbana/Champaigna Funding Information: ]d by the Office of Naval Research( Grant No. N00014-81-K-0438O). ne of us (A.J.F.) thanks L.J. Varnerinf or handlingt he editoriaal spectso f this ms. (includingt he anonymourse fereeing). Copyright: Copyright 2014 Elsevier B.V., All rights reserved.",

year = "1989",

month = feb,

doi = "10.1016/0304-8853(89)90267-9",

language = "English (US)",

volume = "78",

pages = "195--202",

journal = "Journal of Magnetism and Magnetic Materials",

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publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Structural, electronic and magnetic properties of metal/semiconductor superlattices

T2 - Fe/ZnSe(001)

AU - Continenza, A.

AU - Massidda, S.

AU - Freeman, A. J.

N1 - Funding Information: We are gratefutl o G. Prinz for suggestintgh is study and for critical commentsW. ork supported by the National ScienceF oundation\[ througthh e NorthwesterUn niversityM aterialCenter, Grant No. DMR85-20280a nd by a grant of CRAY supercomputintgim e from its D.i vision of Advanced Scientific Computing at the National Center for SupercomputeArp plicationsat the Universityo f Illinois, Urbana/Champaigna Funding Information: ]d by the Office of Naval Research( Grant No. N00014-81-K-0438O). ne of us (A.J.F.) thanks L.J. Varnerinf or handlingt he editoriaal spectso f this ms. (includingt he anonymourse fereeing). Copyright: Copyright 2014 Elsevier B.V., All rights reserved.

PY - 1989/2

Y1 - 1989/2

N2 - The structural, electronic and magnetic properties of a 1 × 1 (monolayer) Fe/ZnSe (001) superlattice are investigated using the highly precise all-electron spin-polarized full-potential linearized augmented plane wave (FLAPW) method. The equilibrium distance between Fe and Se is determined using a total energy approach. Band structure, density of states, and charge and spin density distributions are analyzed and compared with the calculated results for ZnSe bulk and an Fe free film surface. Both the magnetic hyperfine field and the magnetic moment on the Fe sites are studied as a function of Fe-Se distance. The magnetic properties of Fe are found to be remarkably enhanced with respect to the bulk values.

AB - The structural, electronic and magnetic properties of a 1 × 1 (monolayer) Fe/ZnSe (001) superlattice are investigated using the highly precise all-electron spin-polarized full-potential linearized augmented plane wave (FLAPW) method. The equilibrium distance between Fe and Se is determined using a total energy approach. Band structure, density of states, and charge and spin density distributions are analyzed and compared with the calculated results for ZnSe bulk and an Fe free film surface. Both the magnetic hyperfine field and the magnetic moment on the Fe sites are studied as a function of Fe-Se distance. The magnetic properties of Fe are found to be remarkably enhanced with respect to the bulk values.

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SN - 0304-8853

VL - 78

SP - 195

EP - 202

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

IS - 2

ER -

Structural, electronic and magnetic properties of metal/semiconductor superlattices: Fe/ZnSe(001)

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