title: Correlation of structural and electronic properties in a new low-dimensional form of mercury telluride.
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.
authors.affiliation: Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, United Kingdom.
authors.forename: Robin
authors.initials: R
authors.lastname: Carter
authors.forename: Jeremy
authors.initials: J
authors.lastname: Sloan
authors.forename: Angus I
authors.initials: AI
authors.lastname: Kirkland
authors.forename: Rüdiger R
authors.initials: RR
authors.lastname: Meyer
authors.forename: Phillip J D
authors.initials: PJ
authors.lastname: Lindan
authors.forename: Grace
authors.initials: G
authors.lastname: Lin
authors.forename: Malcolm L H
authors.initials: ML
authors.lastname: Green
authors.forename: Alexis
authors.initials: A
authors.lastname: Vlandas
authors.forename: John L
authors.initials: JL
authors.lastname: Hutchison
authors.forename: John
authors.initials: J
authors.lastname: Harding