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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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
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Abstract 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.
AbstractList 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.
ArticleNumber 215501
Author Lindan, Phillip J D
Hutchison, John L
Harding, John
Lin, Grace
Sloan, Jeremy
Carter, Robin
Kirkland, Angus I
Meyer, Rüdiger R
Green, Malcolm L H
Vlandas, Alexis
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  surname: Sloan
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  fullname: Hutchison, John L
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  givenname: John
  surname: Harding
  fullname: Harding, John
BackLink https://www.ncbi.nlm.nih.gov/pubmed/16803245$$D View this record in MEDLINE/PubMed
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