Theory of hydrogen interactions with amorphous silicon

Chris G.D.E. Van Walle; Blair Tuttle

Theory of hydrogen interactions with amorphous silicon

Chris G.D.E. Van Walle, Blair Tuttle

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

Abstract

We present an overview of recent results for hydrogen interactions with amorphous silicon (a-Si), based on first-principles calculations. We review the current understanding regarding molecular hydrogen, and show that H₂ molecules are far less inert than previously assumed. We then discuss results for motion of hydrogen through the material, as relating to diffusion and defect formation. We present a microscopic mechanism for hydrogen-hydrogen exchange, and examine the metastable ≡ SiH₂ complex formed during the exchange process. We also discuss the enhanced stability of Si-D compared to Si-H bonds, which may provide a means of suppressing light-induced defect generation.

Original language	English (US)
Pages (from-to)	275-286
Number of pages	12
Journal	Materials Research Society Symposium - Proceedings
Volume	557
State	Published - 1999
Event	The 1999 MRS Spring Meeting - Symposium A 'Amorphous and Heterogenous Silicon Thin Films: Fundamentals to Devices' - San Francisco, CA, USA Duration: Apr 5 1999 → Apr 9 1999

All Science Journal Classification (ASJC) codes

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Cite this

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title = "Theory of hydrogen interactions with amorphous silicon",

abstract = "We present an overview of recent results for hydrogen interactions with amorphous silicon (a-Si), based on first-principles calculations. We review the current understanding regarding molecular hydrogen, and show that H2 molecules are far less inert than previously assumed. We then discuss results for motion of hydrogen through the material, as relating to diffusion and defect formation. We present a microscopic mechanism for hydrogen-hydrogen exchange, and examine the metastable ≡ SiH2 complex formed during the exchange process. We also discuss the enhanced stability of Si-D compared to Si-H bonds, which may provide a means of suppressing light-induced defect generation.",

author = "{Van Walle}, {Chris G.D.E.} and Blair Tuttle",

year = "1999",

language = "English (US)",

volume = "557",

pages = "275--286",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

note = "The 1999 MRS Spring Meeting - Symposium A 'Amorphous and Heterogenous Silicon Thin Films: Fundamentals to Devices' ; Conference date: 05-04-1999 Through 09-04-1999",

}

TY - JOUR

T1 - Theory of hydrogen interactions with amorphous silicon

AU - Van Walle, Chris G.D.E.

AU - Tuttle, Blair

PY - 1999

Y1 - 1999

N2 - We present an overview of recent results for hydrogen interactions with amorphous silicon (a-Si), based on first-principles calculations. We review the current understanding regarding molecular hydrogen, and show that H2 molecules are far less inert than previously assumed. We then discuss results for motion of hydrogen through the material, as relating to diffusion and defect formation. We present a microscopic mechanism for hydrogen-hydrogen exchange, and examine the metastable ≡ SiH2 complex formed during the exchange process. We also discuss the enhanced stability of Si-D compared to Si-H bonds, which may provide a means of suppressing light-induced defect generation.

AB - We present an overview of recent results for hydrogen interactions with amorphous silicon (a-Si), based on first-principles calculations. We review the current understanding regarding molecular hydrogen, and show that H2 molecules are far less inert than previously assumed. We then discuss results for motion of hydrogen through the material, as relating to diffusion and defect formation. We present a microscopic mechanism for hydrogen-hydrogen exchange, and examine the metastable ≡ SiH2 complex formed during the exchange process. We also discuss the enhanced stability of Si-D compared to Si-H bonds, which may provide a means of suppressing light-induced defect generation.

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UR - http://www.scopus.com/inward/citedby.url?scp=0033297513&partnerID=8YFLogxK

M3 - Conference article

AN - SCOPUS:0033297513

SN - 0272-9172

VL - 557

SP - 275

EP - 286

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

T2 - The 1999 MRS Spring Meeting - Symposium A 'Amorphous and Heterogenous Silicon Thin Films: Fundamentals to Devices'

Y2 - 5 April 1999 through 9 April 1999

ER -

Theory of hydrogen interactions with amorphous silicon

Abstract

All Science Journal Classification (ASJC) codes

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