First-principles study of strain effects on Mn in Si

S. Yabuuchi; E. Ohta; H. Kageshima; A. Taguchi

doi:10.1016/j.physb.2005.12.169

First-principles study of strain effects on Mn in Si

S. Yabuuchi, E. Ohta, H. Kageshima, A. Taguchi

Research output: Contribution to journal › Conference article › peer-review

8 Citations (Scopus)

Abstract

The effects of strain on Mn impurities in Si were investigated by using first-principles calculations. It is shown that substitutional Mn is stabilized and that the magnetic moment is maintained when a tensile strain is given. This suggests that the tensile strain is effective for improving the crystallinity of epitaxial films. Under high Mn concentration conditions, the substitutional Mn complex can cause a structural change and decrease the lattice constant of the crystal. Thus, the formation of shrinked epitaxial films can cause a structural change related to the substitutional Mn complexes, which might make it impossible to obtain the ferromagnetic property.

Original language	English
Pages (from-to)	672-676
Number of pages	5
Journal	Physica B: Condensed Matter
Volume	376-377
Issue number	1
DOIs	https://doi.org/10.1016/j.physb.2005.12.169
Publication status	Published - 2006 Apr 1
Externally published	Yes
Event	Proceedings of the 23rd International Conference on Defects in Semiconductors - Duration: 2005 Jul 24 → 2005 Jul 29

Keywords

First-principles calculation
Magnetic semiconductor
Si
Strain

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Electrical and Electronic Engineering

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10.1016/j.physb.2005.12.169

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title = "First-principles study of strain effects on Mn in Si",

abstract = "The effects of strain on Mn impurities in Si were investigated by using first-principles calculations. It is shown that substitutional Mn is stabilized and that the magnetic moment is maintained when a tensile strain is given. This suggests that the tensile strain is effective for improving the crystallinity of epitaxial films. Under high Mn concentration conditions, the substitutional Mn complex can cause a structural change and decrease the lattice constant of the crystal. Thus, the formation of shrinked epitaxial films can cause a structural change related to the substitutional Mn complexes, which might make it impossible to obtain the ferromagnetic property.",

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TY - JOUR

T1 - First-principles study of strain effects on Mn in Si

AU - Yabuuchi, S.

AU - Ohta, E.

AU - Kageshima, H.

AU - Taguchi, A.

PY - 2006/4/1

Y1 - 2006/4/1

N2 - The effects of strain on Mn impurities in Si were investigated by using first-principles calculations. It is shown that substitutional Mn is stabilized and that the magnetic moment is maintained when a tensile strain is given. This suggests that the tensile strain is effective for improving the crystallinity of epitaxial films. Under high Mn concentration conditions, the substitutional Mn complex can cause a structural change and decrease the lattice constant of the crystal. Thus, the formation of shrinked epitaxial films can cause a structural change related to the substitutional Mn complexes, which might make it impossible to obtain the ferromagnetic property.

AB - The effects of strain on Mn impurities in Si were investigated by using first-principles calculations. It is shown that substitutional Mn is stabilized and that the magnetic moment is maintained when a tensile strain is given. This suggests that the tensile strain is effective for improving the crystallinity of epitaxial films. Under high Mn concentration conditions, the substitutional Mn complex can cause a structural change and decrease the lattice constant of the crystal. Thus, the formation of shrinked epitaxial films can cause a structural change related to the substitutional Mn complexes, which might make it impossible to obtain the ferromagnetic property.

KW - First-principles calculation

KW - Magnetic semiconductor

KW - Si

KW - Strain

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DO - 10.1016/j.physb.2005.12.169

M3 - Conference article

AN - SCOPUS:33645225165

SN - 0921-4526

VL - 376-377

SP - 672

EP - 676

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

IS - 1

T2 - Proceedings of the 23rd International Conference on Defects in Semiconductors

Y2 - 24 July 2005 through 29 July 2005

ER -

First-principles study of strain effects on Mn in Si

Abstract

Keywords

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