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

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

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-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 languageEnglish
Title of host publicationECS Transactions - International Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS
Subtitle of host publicationNew Materials, Processes and Equipment, 3
PublisherElectrochemical Society Inc.
Pages345-350
Number of pages6
Edition1
ISBN (Electronic)9781566775502
ISBN (Print)9781566775502
DOIs
StatePublished - 2007
EventInternational 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 200710 May 2007

Publication series

NameECS Transactions
Number1
Volume6
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Conference

ConferenceInternational Symposium on Advanced Gate Stack, Source/Drain and Channel Engineering for Si-based CMOS: New Materials, Processes and Equipment, 3 - 211th ECS Meeting
Country/TerritoryUnited States
CityChicago, IL
Period6/05/0710/05/07

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