Ab Initio Modeling of Diamond Nanowire Structures

A. S. Barnard; S. P. Russo; I. K. Snook

doi:10.1021/nl034169x

Ab Initio Modeling of Diamond Nanowire Structures

A. S. Barnard, S. P. Russo^*, I. K. Snook

^*Corresponding author for this work

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

78 Citations (Scopus)

Abstract

Presented are results of our ab initio study of the structural relaxation of diamond nanowires, with dodecahedral and cubododecahedral morphology, showing that the energetic and structural stability of a diamond nanowire is dependent on both the surface morphology and the crystallographic direction of the principal axis. Although all structures under consideration exhibited significant changes in the length and cross-sectional area, nanowires with the principal axis in the [110] direction appear less structurally favorable.

Original language	English
Pages (from-to)	1323-1328
Number of pages	6
Journal	Nano Letters
Volume	3
Issue number	10
DOIs	https://doi.org/10.1021/nl034169x
Publication status	Published - Oct 2003
Externally published	Yes

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10.1021/nl034169x

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title = "Ab Initio Modeling of Diamond Nanowire Structures",

abstract = "Presented are results of our ab initio study of the structural relaxation of diamond nanowires, with dodecahedral and cubododecahedral morphology, showing that the energetic and structural stability of a diamond nanowire is dependent on both the surface morphology and the crystallographic direction of the principal axis. Although all structures under consideration exhibited significant changes in the length and cross-sectional area, nanowires with the principal axis in the [110] direction appear less structurally favorable.",

author = "Barnard, {A. S.} and Russo, {S. P.} and Snook, {I. K.}",

year = "2003",

month = oct,

doi = "10.1021/nl034169x",

language = "English",

volume = "3",

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journal = "Nano Letters",

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publisher = "American Chemical Society",

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T1 - Ab Initio Modeling of Diamond Nanowire Structures

AU - Barnard, A. S.

AU - Russo, S. P.

AU - Snook, I. K.

PY - 2003/10

Y1 - 2003/10

N2 - Presented are results of our ab initio study of the structural relaxation of diamond nanowires, with dodecahedral and cubododecahedral morphology, showing that the energetic and structural stability of a diamond nanowire is dependent on both the surface morphology and the crystallographic direction of the principal axis. Although all structures under consideration exhibited significant changes in the length and cross-sectional area, nanowires with the principal axis in the [110] direction appear less structurally favorable.

AB - Presented are results of our ab initio study of the structural relaxation of diamond nanowires, with dodecahedral and cubododecahedral morphology, showing that the energetic and structural stability of a diamond nanowire is dependent on both the surface morphology and the crystallographic direction of the principal axis. Although all structures under consideration exhibited significant changes in the length and cross-sectional area, nanowires with the principal axis in the [110] direction appear less structurally favorable.

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U2 - 10.1021/nl034169x

DO - 10.1021/nl034169x

M3 - Article

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SN - 1530-6984

VL - 3

SP - 1323

EP - 1328

JO - Nano Letters

JF - Nano Letters

IS - 10

ER -

Ab Initio Modeling of Diamond Nanowire Structures

Abstract

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