Density Functional Theory Study of the Spin–Orbit Insulating Phase in SnTe Cubic Nanowires: Implications for Topological Electronics
Ghulam Hussain,
Kinga Warda,
Giuseppe Cuono
et al.
Abstract:We investigate the electronic, structural, and topological
properties
of the SnTe and PbTe cubic nanowires using ab initio calculations. Using standard and linear-scale density functional
theory, we go from the ultrathin limit up to the nanowire thicknesses
observed experimentally. Finite-size effects in the ultrathin limit
produce an electric quadrupole and associated structural distortions;
these distortions increase the band gap, but they get reduced with
the size of the nanowires and become less and less r… Show more
We report on the experimental realization of Pb1-xSnxTe pentagonal nanowires (NWs) with [110] orientation using molecular beam epitaxy techniques. Using first-principles calculations, we investigate the structural stability in NWs of...
We report on the experimental realization of Pb1-xSnxTe pentagonal nanowires (NWs) with [110] orientation using molecular beam epitaxy techniques. Using first-principles calculations, we investigate the structural stability in NWs of...
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