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Title: The excitonic effects in single and double-walled boron nitride nanotubes

The electronic structures and excitonic optical properties of single- and double-walled armchair boron nitride nanotubes (BNNTs) [e.g., (5,5) and (10,10), and (5,5)@(10,10)] are investigated within many-body Green's function and Bethe-Salpeter equation formalism. The first absorption peak of the double-walled nanotube has almost no shift compared with the single-walled (5,5) tube due to the strong optical transition in the double-walled tube that occurs within the inner (5,5) one. Dark and semi-dark excitonic states are detected in the lower energy region, stemming from the charge transfer between inner and outer tubes in the double-walled structure. Most interestingly, the charge transfer makes the electron and the hole reside in different tubes. Moreover, the excited electrons in the double-walled BNNT are able to transfer from the outer tube to the inner one, opposite to that which has been observed in double-walled carbon nanotubes.
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, Hong Kong Polytechnic University, Kowloon, Hong Kong (China)
Publication Date:
OSTI Identifier:
22311390
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 24; 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; BETHE-SALPETER EQUATION; BORON NITRIDES; CARBON NANOTUBES; ELECTRONIC STRUCTURE; ELECTRONS; OPTICAL PROPERTIES; PEAKS