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β-Armchair Antimony Nanotube: Structure, Stability and Electronic Properties

机译:β-扶手椅锑纳米管:结构,稳定性和电子性质

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In the present work, we have used density functional theory (DFT) to investigate the structure, stability and electronic properties of β-armchair antimony nanotube (ASbNT). We have calculated formation energy and found that β-armchair antimony nanotube (ASbNT) is energetically less stable than β-antimonene. The result shows that β-ASbNT of higher diameter are more stable than nanotubes of lower diameter while electronic band structure shows semiconducting nature of these nanotubes.
机译:在本作工作中,我们使用了密度泛函理论(DFT)来研究β-扶手椅锑纳米管(ASBNT)的结构,稳定性和电子性质。我们已经计算了形成能量,发现β-扶手椅锑纳米管(ASBNT)比β-锑稳定性更低。结果表明,β-ASBNT的β-ASBNT比下径的纳米管更稳定,而电子频带结构显示这些纳米管的半导体性质。

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