First-principles calculations of uniaxial strain effects on manganese in silicon

Shin Yabuuchi; Eiji Ohta; Hiroyuki Kageshima

doi:10.1143/JJAP.47.26

First-principles calculations of uniaxial strain effects on manganese in silicon

Shin Yabuuchi, Eiji Ohta, Hiroyuki Kageshima

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

1 Citation (Scopus)

Abstract

Uniaxial strain effects on manganese in silicon are investigated using the first-principles calculations. Manganese doping is shown to enhance the increase rate of vertical strain as a function of lateral strain by ∼10%. The formation energy of manganese in silicon decreases by 0.1 eV at a lateral strain of 3.3%. The magnetic moments of manganese remain at 3μ_B being independent of the strain magnitude. These results are found in both substitutional and interstitial tetrahedral manganese. An analysis of detailed calculation results reveals that these properties are realized by the impact of uniaxial strain on the electronic states of manganese.

Original language	English
Pages (from-to)	26-30
Number of pages	5
Journal	Japanese journal of applied physics
Volume	47
Issue number	1
DOIs	https://doi.org/10.1143/JJAP.47.26
Publication status	Published - 2008 Jan 18
Externally published	Yes

Keywords

First-principle calculation
Magnetism
Manganese impurity
Stability
Strained silicon

ASJC Scopus subject areas

Engineering(all)
Physics and Astronomy(all)

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10.1143/JJAP.47.26

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title = "First-principles calculations of uniaxial strain effects on manganese in silicon",

abstract = "Uniaxial strain effects on manganese in silicon are investigated using the first-principles calculations. Manganese doping is shown to enhance the increase rate of vertical strain as a function of lateral strain by ∼10%. The formation energy of manganese in silicon decreases by 0.1 eV at a lateral strain of 3.3%. The magnetic moments of manganese remain at 3μB being independent of the strain magnitude. These results are found in both substitutional and interstitial tetrahedral manganese. An analysis of detailed calculation results reveals that these properties are realized by the impact of uniaxial strain on the electronic states of manganese.",

keywords = "First-principle calculation, Magnetism, Manganese impurity, Stability, Strained silicon",

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AU - Yabuuchi, Shin

AU - Ohta, Eiji

AU - Kageshima, Hiroyuki

PY - 2008/1/18

Y1 - 2008/1/18

N2 - Uniaxial strain effects on manganese in silicon are investigated using the first-principles calculations. Manganese doping is shown to enhance the increase rate of vertical strain as a function of lateral strain by ∼10%. The formation energy of manganese in silicon decreases by 0.1 eV at a lateral strain of 3.3%. The magnetic moments of manganese remain at 3μB being independent of the strain magnitude. These results are found in both substitutional and interstitial tetrahedral manganese. An analysis of detailed calculation results reveals that these properties are realized by the impact of uniaxial strain on the electronic states of manganese.

AB - Uniaxial strain effects on manganese in silicon are investigated using the first-principles calculations. Manganese doping is shown to enhance the increase rate of vertical strain as a function of lateral strain by ∼10%. The formation energy of manganese in silicon decreases by 0.1 eV at a lateral strain of 3.3%. The magnetic moments of manganese remain at 3μB being independent of the strain magnitude. These results are found in both substitutional and interstitial tetrahedral manganese. An analysis of detailed calculation results reveals that these properties are realized by the impact of uniaxial strain on the electronic states of manganese.

KW - First-principle calculation

KW - Magnetism

KW - Manganese impurity

KW - Stability

KW - Strained silicon

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First-principles calculations of uniaxial strain effects on manganese in silicon

Abstract

Keywords

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