First-principles theoretical investigation of neutral vacancy-associated muonium center in silicon

Hong Li; Alok Nandini Usha Roy; N. Sahoo; T. P. Das; R. Scheuermann; K. Nagamine

doi:10.1016/S0921-4526(00)00241-6

First-principles theoretical investigation of neutral vacancy-associated muonium center in silicon

Hong Li, Alok Nandini Usha Roy, N. Sahoo, T. P. Das, R. Scheuermann, K. Nagamine

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

1 Scopus citations

Abstract

To understand the nature of the recently discovered vacancy-associated center Mu_V in silicon and its H counterpart V_H, we have carried out a first-principles Hartree-Fock cluster investigation mainly on the cluster Si₄H₁₂ Mu involving the muonium and the four silicon neighbors nearest to the vacancy in a neutral vacancy-associated environment, including lattice relaxation effects. Our results demonstrate that the neutral vacancy-associated model is able to explain the non-axial symmetry of the Mu_V center through Jahn-Teller distortion and provides reasonable quantitative agreement with experimental hyperfine data.

Original language	English (US)
Pages (from-to)	516-520
Number of pages	5
Journal	Physica B: Condensed Matter
Volume	289-290
DOIs	https://doi.org/10.1016/S0921-4526(00)00241-6
State	Published - Aug 2000
Externally published	Yes
Event	8th International Conference on Muon Spin Rotation, Relaxation and Resonance (muSR'99) - Les Diablerets, Switz Duration: Aug 30 1999 → Sep 3 1999

ASJC Scopus subject areas

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

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@article{04a7671c1918497e919740bc0b08b2cb,

title = "First-principles theoretical investigation of neutral vacancy-associated muonium center in silicon",

abstract = "To understand the nature of the recently discovered vacancy-associated center MuV in silicon and its H counterpart VH, we have carried out a first-principles Hartree-Fock cluster investigation mainly on the cluster Si4H12 Mu involving the muonium and the four silicon neighbors nearest to the vacancy in a neutral vacancy-associated environment, including lattice relaxation effects. Our results demonstrate that the neutral vacancy-associated model is able to explain the non-axial symmetry of the MuV center through Jahn-Teller distortion and provides reasonable quantitative agreement with experimental hyperfine data.",

author = "Hong Li and Roy, {Alok Nandini Usha} and N. Sahoo and Das, {T. P.} and R. Scheuermann and K. Nagamine",

year = "2000",

month = aug,

doi = "10.1016/S0921-4526(00)00241-6",

language = "English (US)",

volume = "289-290",

pages = "516--520",

journal = "Physica B: Condensed Matter",

issn = "0921-4526",

publisher = "Elsevier",

note = "8th International Conference on Muon Spin Rotation, Relaxation and Resonance (muSR'99) ; Conference date: 30-08-1999 Through 03-09-1999",

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TY - JOUR

T1 - First-principles theoretical investigation of neutral vacancy-associated muonium center in silicon

AU - Li, Hong

AU - Roy, Alok Nandini Usha

AU - Sahoo, N.

AU - Das, T. P.

AU - Scheuermann, R.

AU - Nagamine, K.

PY - 2000/8

Y1 - 2000/8

N2 - To understand the nature of the recently discovered vacancy-associated center MuV in silicon and its H counterpart VH, we have carried out a first-principles Hartree-Fock cluster investigation mainly on the cluster Si4H12 Mu involving the muonium and the four silicon neighbors nearest to the vacancy in a neutral vacancy-associated environment, including lattice relaxation effects. Our results demonstrate that the neutral vacancy-associated model is able to explain the non-axial symmetry of the MuV center through Jahn-Teller distortion and provides reasonable quantitative agreement with experimental hyperfine data.

AB - To understand the nature of the recently discovered vacancy-associated center MuV in silicon and its H counterpart VH, we have carried out a first-principles Hartree-Fock cluster investigation mainly on the cluster Si4H12 Mu involving the muonium and the four silicon neighbors nearest to the vacancy in a neutral vacancy-associated environment, including lattice relaxation effects. Our results demonstrate that the neutral vacancy-associated model is able to explain the non-axial symmetry of the MuV center through Jahn-Teller distortion and provides reasonable quantitative agreement with experimental hyperfine data.

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U2 - 10.1016/S0921-4526(00)00241-6

DO - 10.1016/S0921-4526(00)00241-6

M3 - Conference article

AN - SCOPUS:0033704497

SN - 0921-4526

VL - 289-290

SP - 516

EP - 520

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

T2 - 8th International Conference on Muon Spin Rotation, Relaxation and Resonance (muSR'99)

Y2 - 30 August 1999 through 3 September 1999

ER -

First-principles theoretical investigation of neutral vacancy-associated muonium center in silicon

Abstract

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