VV and VO2 defects in silicon studied with hybrid density functional theory

Stavros Richard G Christopoulos; Hao Wang; Alexander I. Chroneos; Charalampos A. Londos; Efstratia N. Sgourou; Udo Schwingenschlögl

doi:10.1007/s10854-014-2576-9

VV and VO2 defects in silicon studied with hybrid density functional theory

Stavros Richard G Christopoulos, Hao Wang, Alexander I. Chroneos, Charalampos A. Londos, Efstratia N. Sgourou, Udo Schwingenschlögl

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9 Scopus citations

Abstract

The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.

Original language	English (US)
Pages (from-to)	1568-1571
Number of pages	4
Journal	Journal of Materials Science: Materials in Electronics
Volume	26
Issue number	3
DOIs	https://doi.org/10.1007/s10854-014-2576-9
State	Published - Dec 7 2014

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Electronic, Optical and Magnetic Materials
Electrical and Electronic Engineering
Condensed Matter Physics

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10.1007/s10854-014-2576-9

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title = "VV and VO2 defects in silicon studied with hybrid density functional theory",

abstract = "The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.",

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doi = "10.1007/s10854-014-2576-9",

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T1 - VV and VO2 defects in silicon studied with hybrid density functional theory

AU - Christopoulos, Stavros Richard G

AU - Wang, Hao

AU - Chroneos, Alexander I.

AU - Londos, Charalampos A.

AU - Sgourou, Efstratia N.

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).

PY - 2014/12/7

Y1 - 2014/12/7

N2 - The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.

AB - The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.

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JO - Journal of Materials Science: Materials in Electronics

JF - Journal of Materials Science: Materials in Electronics

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ER -

VV and VO2 defects in silicon studied with hybrid density functional theory

Abstract

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