Ab initio modelling of diamond nanowire structures

Barnard, A, Russo, S and Snook, I 2003, 'Ab initio modelling of diamond nanowire structures', Nano letters, vol. 3, no. 3, pp. 1323-1328.

Document type: Journal Article
Collection: Journal Articles

Title Ab initio modelling of diamond nanowire structures
Author(s) Barnard, A
Russo, S
Snook, I
Year 2003
Journal name Nano letters
Volume number 3
Issue number 3
Start page 1323
End page 1328
Total pages 5
Publisher American Chemical Society
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.
Subject Condensed Matter Modelling and Density Functional Theory
DOI - identifier 10.1021/nl034169x
Copyright notice © 2003 American Chemical Society
ISSN 1530-6984
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