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Ab Initio Study of Electronic Properties of a Armchair (7,7) Carbon Nanotube

Ab Initio Study of Electronic Properties of a Armchair (7,7) Carbon Nanotube
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摘要 The electronic structure, band gap and density of states of (7,7) Armchair carbon nanotube by the full potentiallin- earized augmented plane wave (FP-LAPW)method in the framework density functional theory (DFT) with the generalized gradient approximation (GGA) were studied. The calculated band structure and density of state of Armchair (7,7) carbon nanotube were in good agreement with theoretical and experimental results. The electronic structure, band gap and density of states of (7,7) Armchair carbon nanotube by the full potentiallin- earized augmented plane wave (FP-LAPW)method in the framework density functional theory (DFT) with the generalized gradient approximation (GGA) were studied. The calculated band structure and density of state of Armchair (7,7) carbon nanotube were in good agreement with theoretical and experimental results.
机构地区 Department of Physics
出处 《Advances in Materials Physics and Chemistry》 2012年第3期159-162,共4页 材料物理与化学进展(英文)
关键词 BAND GAP ELECTRONIC Structure WIEN2k FP-LAPW Band Gap Electronic Structure WIEN2k FP-LAPW
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