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Title: A new silicon phase with direct band gap and novel optoelectronic properties

Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. Additionally, this new allotrope displays large carrier mobility (~104 cm/V · s) at room temperature and a low mass density (1.71 g/cm3), making it a promising material for optoelectronic applications.
Authors:
 [1] ;  [2] ;  [3] ;  [4]
  1. Peking Univ., Beijing (China); Key Lab. of High Energy Density Physics Simulation, and IFSA Collaborative Innovation Center, Ministry of Education, Beijing (China)
  2. Peking Univ., Beijing (China); Key Lab. of High Energy Density Physics Simulation, and IFSA Collaborative Innovation Center, Ministry of Education, Beijing (China); Virginia Commonwealth Univ., Richmond, VA (United States)
  3. Tohoku Univ., Sendai (Japan); Kutateladze Institute of Thermophysics, Novosibirsk (Russia)
  4. Virginia Commonwealth Univ., Richmond, VA (United States)
Publication Date:
OSTI Identifier:
1324969
Grant/Contract Number:
FG02-96ER45579
Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Research Org:
Virginia Commonwealth Univ., Richmond, VA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY condensed-matter physics; theory and computation