title: A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties.
abstract: 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. In addition, this new allotrope displays large carrier mobility (~10(4) cm/V · s) at room temperature and a low mass density (1.71 g/cm(3)), making it a promising material for optoelectronic applications.
authors.affiliation: Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871, China.|Key Laboratory of High Energy Density Physics Simulation, and IFSA Collaborative Innovation Center, Ministry of Education, Beijing 100871, China.
authors.forename: Yaguang
authors.initials: Y
authors.lastname: Guo
authors.affiliation: Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871, China.|Key Laboratory of High Energy Density Physics Simulation, and IFSA Collaborative Innovation Center, Ministry of Education, Beijing 100871, China.|Department of Physics, Virginia Commonwealth University, Richmond, VA 23284, USA.
authors.forename: Qian
authors.initials: Q
authors.lastname: Wang
authors.affiliation: New Industry Creation Hatchery Center, Tohoku University, Sendai, 980-8577, Japan.|Kutateladze Institute of Thermophysics, SB RAS, Lavrentieva 1, Novosibirsk, 630090, Russia.
authors.forename: Yoshiyuki
authors.initials: Y
authors.lastname: Kawazoe
authors.affiliation: Department of Physics, Virginia Commonwealth University, Richmond, VA 23284, USA.
authors.forename: Puru
authors.initials: P
authors.lastname: Jena