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Electronic and transport properties of deformed platinum nanotubes calculated using relativistic linear augmented cylindrical wave method
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2019-02-13 , DOI: 10.1016/j.cplett.2019.02.006
P.N. D'yachkov , D.O. Krasnov

The spin- and deformation-dependent electron structures of the single-walled chiral and achiral Pt nanotubes are investigated using a relativistic linear augmented cylindrical wave method. It is shown that the Fermi level separates the valence and conduction band curves. The nanotubes are semimetallic. The spin-orbit coupling results in a splitting of dispersion curves equal up to 0.5 eV. The torsional, uniaxial, and uniform strain results in a drastic change of the electronic states at the Fermi level. The mechanical deformation of some Pt nanotubes can induce a formation minigaps in a terahertz region that can be used in electronic devices.



中文翻译:

相对论线性增强圆柱波法计算的变形铂纳米管的电子和输运性质

使用相对论线性增强圆柱波方法研究了单壁手性和非手性Pt纳米管的自旋和依赖变形的电子结构。结果表明,费米能级将价键和导带曲线分开。纳米管是半金属的。自旋轨道耦合导致色散曲线分裂,分裂幅度最大为0.5 eV。扭转,单轴和均匀应变导致费米能级的电子态急剧变化。某些Pt纳米管的机械变形会在太赫兹区域引起最小的形成间隙,可用于电子设备。

更新日期:2019-02-14
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