Structure and diffusion of phosphorus in monohydride Si(001)-2×1-H

K. E. Kweon; S. A. Harrison; G. S. Hwang

doi:10.1149/1.2727419

Structure and diffusion of phosphorus in monohydride Si(001)-2×1-H

K. E. Kweon, S. A. Harrison, G. S. Hwang

Department of Chemical Engineering & Materials Science

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

Using density functional calculations, we have investigated the structure and diffusion of phosphorus (P) in various charge states near the monohydride Si(001)-2×1-H surface. Surface P is found to be far more energetically favorable than bulk P, due primarily to the stronger bonding and smaller strain associated with the flexible surface. The predicted energy gains range from 1.5 to 2.3 eV, depending on the charge state and location of P. Our calculation results also show that with a moderate barrier bulk P will undergo out-diffusion to the surface, and surface P will migrate along a dimer row.

Original language	English
Title of host publication	ECS Transactions - International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS
Subtitle of host publication	New Materials, Processes and Equipment, 3
Publisher	Electrochemical Society Inc.
Pages	345-350
Number of pages	6
Edition	1
ISBN (Electronic)	9781566775502
ISBN (Print)	9781566775502
DOIs	https://doi.org/10.1149/1.2727419
State	Published - 2007
Event	International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS: New Materials, Processes and Equipment, 3 - 211th ECS Meeting - Chicago, IL, United States Duration: 6 May 2007 → 10 May 2007

Publication series

Name	ECS Transactions
Number	1
Volume	6
ISSN (Print)	1938-5862
ISSN (Electronic)	1938-6737

Conference

Conference	International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS: New Materials, Processes and Equipment, 3 - 211th ECS Meeting
Country/Territory	United States
City	Chicago, IL
Period	6/05/07 → 10/05/07

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10.1149/1.2727419

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Kweon, K. E., Harrison, S. A., & Hwang, G. S. (2007). Structure and diffusion of phosphorus in monohydride Si(001)-2×1-H. In ECS Transactions - International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS: New Materials, Processes and Equipment, 3 (1 ed., pp. 345-350). (ECS Transactions; Vol. 6, No. 1). Electrochemical Society Inc.. https://doi.org/10.1149/1.2727419

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title = "Structure and diffusion of phosphorus in monohydride Si(001)-2×1-H",

abstract = "Using density functional calculations, we have investigated the structure and diffusion of phosphorus (P) in various charge states near the monohydride Si(001)-2×1-H surface. Surface P is found to be far more energetically favorable than bulk P, due primarily to the stronger bonding and smaller strain associated with the flexible surface. The predicted energy gains range from 1.5 to 2.3 eV, depending on the charge state and location of P. Our calculation results also show that with a moderate barrier bulk P will undergo out-diffusion to the surface, and surface P will migrate along a dimer row.",

author = "Kweon, {K. E.} and Harrison, {S. A.} and Hwang, {G. S.}",

year = "2007",

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series = "ECS Transactions",

publisher = "Electrochemical Society Inc.",

number = "1",

pages = "345--350",

booktitle = "ECS Transactions - International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS",

edition = "1",

note = "International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS: New Materials, Processes and Equipment, 3 - 211th ECS Meeting ; Conference date: 06-05-2007 Through 10-05-2007",

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Kweon, KE, Harrison, SA & Hwang, GS 2007, Structure and diffusion of phosphorus in monohydride Si(001)-2×1-H. in ECS Transactions - International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS: New Materials, Processes and Equipment, 3. 1 edn, ECS Transactions, no. 1, vol. 6, Electrochemical Society Inc., pp. 345-350, International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS: New Materials, Processes and Equipment, 3 - 211th ECS Meeting, Chicago, IL, United States, 6/05/07. https://doi.org/10.1149/1.2727419

Structure and diffusion of phosphorus in monohydride Si(001)-2×1-H. / Kweon, K. E.; Harrison, S. A.; Hwang, G. S.
ECS Transactions - International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS: New Materials, Processes and Equipment, 3. 1. ed. Electrochemical Society Inc., 2007. p. 345-350 (ECS Transactions; Vol. 6, No. 1).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Kweon, K. E.

AU - Harrison, S. A.

AU - Hwang, G. S.

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Y1 - 2007

N2 - Using density functional calculations, we have investigated the structure and diffusion of phosphorus (P) in various charge states near the monohydride Si(001)-2×1-H surface. Surface P is found to be far more energetically favorable than bulk P, due primarily to the stronger bonding and smaller strain associated with the flexible surface. The predicted energy gains range from 1.5 to 2.3 eV, depending on the charge state and location of P. Our calculation results also show that with a moderate barrier bulk P will undergo out-diffusion to the surface, and surface P will migrate along a dimer row.

AB - Using density functional calculations, we have investigated the structure and diffusion of phosphorus (P) in various charge states near the monohydride Si(001)-2×1-H surface. Surface P is found to be far more energetically favorable than bulk P, due primarily to the stronger bonding and smaller strain associated with the flexible surface. The predicted energy gains range from 1.5 to 2.3 eV, depending on the charge state and location of P. Our calculation results also show that with a moderate barrier bulk P will undergo out-diffusion to the surface, and surface P will migrate along a dimer row.

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M3 - Conference contribution

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BT - ECS Transactions - International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS

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ER -

Structure and diffusion of phosphorus in monohydride Si(001)-2×1-H

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