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Indirect to direct gap transition in low-dimensional nanostructures of Silicon and Germanium
Institution:1. College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, PR China;2. Institute of Nanophotonic Physics, Guizhou University, Guiyang 550025, PR China;3. State key laboratory of Surface Physics, Key Laboratory of Micro and Nano Photonic Structures, (Ministry of Education) and Department of Physics, Fudan University, Shanghai 200433, PR China;1. Department of Applied Physics, University of Information Science and Technology, Nanjing 210044, China;2. Department of Physics, Prairie View A&M University, Prairie View, TX 77446, USA;3. Institute of Applied Physics and Materials Engineering, FST, University of Macau, China;1. College of Physics and Chemistry, Henan Polytechnic University, Jiaozuo 454000, PR China;2. Department of Physics and Laboratory of Material Physics, Zhengzhou University, Zhengzhou 450052, PR China;1. Russian-Armenian University, 0051 Yerevan, Armenia;2. Yerevan State University, 0025 Yerevan, Armenia;3. Peter the Great Saint-Petersburg Polytechnic University, St. Petersburg 195251, Russia;4. Ioffe Institute, St Petersburg 194021, Russia;1. Department of Electronics Engineering, National Chiao Tung University, No. 1001, University Road, Hsinchu 300, Taiwan, ROC;2. Department of Electronics Engineering, Chung Hua University, Hsinchu 300, Taiwan, ROC
Abstract:The electronic band structures of Si and Ge low-dimensional nanostructure such as nanofilms and nanowires have been calculated using first principles based on density functional theory (DFT) with the generalized gradient approximation (GGA). The calculation results show that a direct band gap can be obtained from Si orientation 100] or in Ge orientation 111] confined low dimensional nanostructure. However, an indirect band gap is still kept in the Si orientation 111] or in the Ge orientation 110] confined low dimensional nanostructure. The calculation results are interesting and the transition mechanism from indirect to direct band gap in low dimensional nanostructures is given in the physical structures model.
Keywords:Direct band gap  First principles calculation  Low-dimensional nanostructure
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