Graphite-Like Surface Reconstruction on C{111} and Their Implication for n-type Diamond

Yanfa Yan; S. B. Zhang; M. M. Al-Jassim

doi:10.1103/PhysRevB.66.201401

Graphite-Like Surface Reconstruction on C{111} and Their Implication for n-type Diamond

Yanfa Yan, S. B. Zhang, M. M. Al-Jassim

Materials Science

National Renewable Energy Laboratory

Research output: Contribution to journal › Article › peer-review

26 Scopus Citations

Abstract

Surface reconstructions involving curved graphitic overlayer are proposed to be the missing transition state between the clean (2 × 1)- and fully hydrogenated (1 × 1)-diamond (111) surfaces. First-principles calculations show that surface graphitization causes changes in the H vibration frequency, in good agreement with experiment. Localized graphitization may also introduce voidlike planar defects that increase the surface-to-bulk ratio. We find that phosphorus solubility is significantly enhanced near the surface region. This provides an explanation for the recent experimental success on n-type diamond.

Original language	American English
Article number	Article No. 201401(R)
Pages (from-to)	2014011-2014014
Number of pages	4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	66
Issue number	20
DOIs	https://doi.org/10.1103/PhysRevB.66.201401 https://doi.org/10.1103/PhysRevB.66.201401
State	Published - 15 Nov 2002

NREL Publication Number

NREL/JA-520-31592

Access to Document

Cite this

@article{11180f0a1adc44fa9edad12d20c89e92,

title = "Graphite-Like Surface Reconstruction on C{111} and Their Implication for n-type Diamond",

abstract = "Surface reconstructions involving curved graphitic overlayer are proposed to be the missing transition state between the clean (2 × 1)- and fully hydrogenated (1 × 1)-diamond (111) surfaces. First-principles calculations show that surface graphitization causes changes in the H vibration frequency, in good agreement with experiment. Localized graphitization may also introduce voidlike planar defects that increase the surface-to-bulk ratio. We find that phosphorus solubility is significantly enhanced near the surface region. This provides an explanation for the recent experimental success on n-type diamond.",

author = "Yanfa Yan and Zhang, {S. B.} and Al-Jassim, {M. M.}",

year = "2002",

month = nov,

day = "15",

doi = "10.1103/PhysRevB.66.201401",

language = "American English",

volume = "66",

pages = "2014011--2014014",

journal = "Physical Review B - Condensed Matter and Materials Physics",

issn = "1098-0121",

publisher = "American Physical Society",

number = "20",

}

TY - JOUR

T1 - Graphite-Like Surface Reconstruction on C{111} and Their Implication for n-type Diamond

AU - Yan, Yanfa

AU - Zhang, S. B.

AU - Al-Jassim, M. M.

PY - 2002/11/15

Y1 - 2002/11/15

N2 - Surface reconstructions involving curved graphitic overlayer are proposed to be the missing transition state between the clean (2 × 1)- and fully hydrogenated (1 × 1)-diamond (111) surfaces. First-principles calculations show that surface graphitization causes changes in the H vibration frequency, in good agreement with experiment. Localized graphitization may also introduce voidlike planar defects that increase the surface-to-bulk ratio. We find that phosphorus solubility is significantly enhanced near the surface region. This provides an explanation for the recent experimental success on n-type diamond.

AB - Surface reconstructions involving curved graphitic overlayer are proposed to be the missing transition state between the clean (2 × 1)- and fully hydrogenated (1 × 1)-diamond (111) surfaces. First-principles calculations show that surface graphitization causes changes in the H vibration frequency, in good agreement with experiment. Localized graphitization may also introduce voidlike planar defects that increase the surface-to-bulk ratio. We find that phosphorus solubility is significantly enhanced near the surface region. This provides an explanation for the recent experimental success on n-type diamond.

UR - http://www.scopus.com/inward/record.url?scp=0037113415&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.66.201401

DO - 10.1103/PhysRevB.66.201401

M3 - Article

AN - SCOPUS:0037113415

SN - 1098-0121

VL - 66

SP - 2014011

EP - 2014014

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 20

M1 - Article No. 201401(R)

ER -

Graphite-Like Surface Reconstruction on C{111} and Their Implication for n-type Diamond

Abstract

NREL Publication Number

Access to Document

Other files and links

Fingerprint

Cite this