Structural stability and electronic properties of GaSb nanowires |
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Authors: | Satyendra Singh Pankaj Srivastava Abhay Mishra |
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Affiliation: | aDepartment of Physics, Hindustan College of Science & Technology, Farah, Mathura 281122,. India;bApplied Physics Group, ABV-Indian Institute of Information Technology & Management (ABV-IIITM), Gwalior 474010, India;cDepartment of Applied Physics, Madhav Institute of Technology & Science, Gwalior 474005, India |
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Abstract: | The structural stability and electronic properties of four different shapes of GaSb nanowire have been studied by ab-initio method using the generalized gradient approximations. The different structures were two atom linear wire, two atom zigzag wire, four atom square wire and six atom hexagonal wire. The geometry optimization and the stability of all nanowires were investigated. We explore the minimum energy atomic configuration for all the considered shapes. We find that four atom square wire configuration has greater stability in comparison to other shapes. The analysis of density of states and band structures of optimized nanowires predicts that semiconducting nanowires may be metallic or semiconducting. The behavior entirely depends upon the geometrical structure. |
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Keywords: | GaSb nanowires Electronic band structure Density of states Total energy |
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