@inproceedings{79786daa82e449df8d39ff642b9af561,
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",
doi = "10.1149/1.2727419",
language = "English",
isbn = "9781566775502",
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",
}