Correlation of structural and electronic properties in a new low-dimensional form of mercury telluride

Using high resolution electron microscopy and first principles quantum mechanical calculations we have explored the fundamental physics and chemistry of the semiconductor, HgTe grown inside single wall carbon nanotubes. This material forms a low-dimensional structure based on a repeating Hg2Te2 moti...

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Bibliographic Details
Published in:	Physical review letters Vol. 96; no. 21; p. 215501
Main Authors:	Carter, Robin, Sloan, Jeremy, Kirkland, Angus I, Meyer, Rüdiger R, Lindan, Phillip J D, Lin, Grace, Green, Malcolm L H, Vlandas, Alexis, Hutchison, John L, Harding, John
Format:	Journal Article
Language:	English
Published:	United States 02-06-2006
Online Access:	Get full text
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Summary:	Using high resolution electron microscopy and first principles quantum mechanical calculations we have explored the fundamental physics and chemistry of the semiconductor, HgTe grown inside single wall carbon nanotubes. This material forms a low-dimensional structure based on a repeating Hg2Te2 motif in which both atom species adopt new coordination geometries not seen in the bulk. Density-functional theory calculations confirm the stability of this structure and demonstrate conclusively that it arises solely as a consequence of constrained low dimensionality. This change is directly correlated with a modified electronic structure in which the low-dimensional form of HgTe is transformed from a bulk semimetal to a semiconductor.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	0031-9007 1079-7114
DOI:	10.1103/PhysRevLett.96.215501