Vacancy charging on Si(1 1 1)-(7 × 7) investigated by density functional theory

Kapil Dev; E. G. Seebauer

doi:10.1016/S0039-6028(03)00734-9

Vacancy charging on Si(1 1 1)-(7 × 7) investigated by density functional theory

Kapil Dev, E. G. Seebauer

Chemical and Biomolecular Engineering

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

Abstract

The structure and energetics of charged vacancies on Si(111)-(7 × 7) were investigated using density functional theory. The dominant charge state at any given temperature depended on the Fermi level position at the real surface. Nonthermal effects of optical illumination on surface diffusion appeared to be mediated by charged surface vacancies.

Original language	English (US)
Pages (from-to)	L495-L499
Journal	Surface Science
Volume	538
Issue number	3
DOIs	https://doi.org/10.1016/S0039-6028(03)00734-9
State	Published - Jul 20 2003

Keywords

Adatoms
Density functional calculations
Silicon
Single crystal surfaces
Surface defects
Surface diffusion

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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10.1016/S0039-6028(03)00734-9

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title = "Vacancy charging on Si(1 1 1)-(7 × 7) investigated by density functional theory",

abstract = "The structure and energetics of charged vacancies on Si(111)-(7 × 7) were investigated using density functional theory. The dominant charge state at any given temperature depended on the Fermi level position at the real surface. Nonthermal effects of optical illumination on surface diffusion appeared to be mediated by charged surface vacancies.",

keywords = "Adatoms, Density functional calculations, Silicon, Single crystal surfaces, Surface defects, Surface diffusion",

author = "Kapil Dev and Seebauer, {E. G.}",

note = "Funding Information: This work was partially supported by NSF (CTS 02-03237). Computations were performed with support from the National Computational Supercomputing Alliance at UIUC. ",

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doi = "10.1016/S0039-6028(03)00734-9",

language = "English (US)",

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T1 - Vacancy charging on Si(1 1 1)-(7 × 7) investigated by density functional theory

AU - Dev, Kapil

AU - Seebauer, E. G.

N1 - Funding Information: This work was partially supported by NSF (CTS 02-03237). Computations were performed with support from the National Computational Supercomputing Alliance at UIUC.

PY - 2003/7/20

Y1 - 2003/7/20

N2 - The structure and energetics of charged vacancies on Si(111)-(7 × 7) were investigated using density functional theory. The dominant charge state at any given temperature depended on the Fermi level position at the real surface. Nonthermal effects of optical illumination on surface diffusion appeared to be mediated by charged surface vacancies.

AB - The structure and energetics of charged vacancies on Si(111)-(7 × 7) were investigated using density functional theory. The dominant charge state at any given temperature depended on the Fermi level position at the real surface. Nonthermal effects of optical illumination on surface diffusion appeared to be mediated by charged surface vacancies.

KW - Adatoms

KW - Density functional calculations

KW - Silicon

KW - Single crystal surfaces

KW - Surface defects

KW - Surface diffusion

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U2 - 10.1016/S0039-6028(03)00734-9

DO - 10.1016/S0039-6028(03)00734-9

M3 - Article

AN - SCOPUS:0038787020

SN - 0039-6028

VL - 538

SP - L495-L499

JO - Surface Science

JF - Surface Science

IS - 3

ER -

Vacancy charging on Si(1 1 1)-(7 × 7) investigated by density functional theory

Abstract

Keywords

ASJC Scopus subject areas

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