Band-Gap Modification Induced in HgTe by Dimensional Constraint in Carbon Nanotubes: Effect of Nanotube Diameter on Microstructure
A new tubular form of HgTe grown in narrow single walled carbon nanotubes is described with Hg and Te in reduced coordination. Two unique projections obtained by HRTEM from two separate crystal fragments enabled reconstruction of the atomic arrangement of the new form. DFT confirmed the stability of the new structure and that it has a modified band gap, transforming HgTe from a semimetal to a semiconductor (band gap +1.3eV). HRTEM shows that as the nanotube diameter increases, the new form is no longer obtained and for diameters of 1.6-2 nm, disordered HgTe is obtained, for diameters >2 nm, sphalerite HgTe is obtained.
KeywordsSingle Walled Carbon Nanotubes Double Walled Carbon Nanotubes Tubular Form Dimensional Constraint Relative Orientation Angle
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