硅再生：用于下一代技术的硅的金属棱柱烷同素异形体
Silicon rebirth: Metallic prismane allotropes of silicon for the next-gen technologies
摘要：
我们报告的预测金属准维$sp^{3}$杂化硅同素异形体的形式prismanes。硅棱镜或聚硅棱镜是由脱氢的环硅烷分子（硅环）构成的特殊类型的硅纳米管。利用密度泛函理论研究了这些纳米管的电子、几何、能量和力学性质。结果表明，硅多棱柱是一种稳定的化合物，其能谱特征以及费米能级附近的透射函数行为表明，它们具有非典型的硅系金属性质。此外，聚硅杂螺烷的金属状态耐受沿其主轴施加的机械应力。本研究中预测的不寻常特性发现了硅纳米结构作为未来微电子和纳米电子学以及能源，计量，医疗和信息技术的基本元素的应用新前景。
英文摘要：
We report the prediction of metallic quasione-dimensional $sp^{3}$-hybridized silicon allotropes in the form of prismanes. Silicon prismanes or polysilaprismanes are the silicon nanotubes of a special type constructed from the dehydrogenated molecules of cyclosilanes (silicon rings). By means of density functional theory the electronic, geometry, energy, and some mechanical properties of these tubes were investigated. Our results show that silicon polyprismanes are thermodynamically stable compounds, and the character of the energy spectrum, as well as the behavior of transmission function near the Fermi level, show that they exhibit non-typical for the silicon systems metallic nature. Moreover, the metallic state of polysilaprismanes is resistant to the mechanical stresses applied along their main axis. Unusual properties predicted in the presented study discover new prospects of application of silicon nanostructures as the basic elements of future micro- and nanoelectronics, as well as in energy, metrology, medical, and information technologies.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
