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

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.
Authors:
; ; ;  [1] ;  [2]
  1. Department of Physics and Key Laboratory of MEMS of Ministry of Education, Southeast University, Nanjing 211189 (China)
  2. Institute of Textiles and Clothing, The Hong Kong Polytechnic University, Kowloon, Hong Kong (China)
Publication Date:
OSTI Identifier:
22420039
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 6; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION; DIELECTRIC MATERIALS; ELECTRONIC STRUCTURE; OPTICAL PROPERTIES; PERTURBATION THEORY; PHOTONS; QUASI PARTICLES; STRAINS