Tunable electronic and optical properties of monolayer silicane under tensile strain: A many-body study

Huabing Shu, Shudong Wang, Yunhai Li, Yiu Wan Yip, Jinlan Wang

Research output: Journal article publicationJournal articleAcademic researchpeer-review

13 Citations (Scopus)

Abstract

The electronic structure and optical response of silicane to strain are investigated by employing first-principles calculations based on many-body perturbation theory. The bandgap can be efficiently engineered in a broad range and an indirect to direct bandgap transition is observed under a strain of 2.74%; the semiconducting silicane can even be turned into a metal under a very large strain. The transitions derive from the persistent downward shift of the lowest conduction band at the Γ-point upon an increasing strain. The quasi-particle bandgaps of silicane are sizable due to the weak dielectric screening and the low dimension; they are rapidly reduced as strain increases while the exciton bound energy is not that sensitive. Moreover, the optical absorption edge of the strained silicane significantly shifts towards a low photon energy region and falls into the visible light range, which might serve as a promising candidate for optoelectronic devices.
Original languageEnglish
Article number064707
JournalJournal of Chemical Physics
Volume141
Issue number6
DOIs
Publication statusPublished - 14 Aug 2014

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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