Planar Vacancies in Sn1-xBixTe Nanoribbons

ACS Nano. 2016 May 24;10(5):5507-15. doi: 10.1021/acsnano.6b01953. Epub 2016 Apr 28.

Abstract

Vacancy engineering is a crucial approach to manipulate physical properties of semiconductors. Here, we demonstrate that planar vacancies are formed in Sn1-xBixTe nanoribbons by using Bi dopants via a facile chemical vapor deposition. Through combination of sub-angstrom-resolution imaging and density functional theory calculations, these planar vacancies are found to be associated with Bi segregations, which significantly lower their formation energies. The planar vacancies exhibit polymorphic structures with local variations in the lattice relaxation level, determined by their proximity to the nanoribbon surface. Such polymorphic planar vacancies, in conjunction with Bi dopants, trigger distinct localized electronic states, offering platforms for device applications of ternary chalcogenide materials.

Keywords: chalcogenides; density functional theory; nanoribbon; scanning transmission electron microscopy; thermoelectric; vacancy.

Publication types

  • Research Support, Non-U.S. Gov't