Spin-dependent electronic structure of transition-metal atomic chains adsorbed on single-wall carbon nanotubes
Spin-dependent electronic structure of transition-metal atomic chains adsorbed on single-wall carbon nanotubes
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DOI：
10.1103/physrevb.74.125404
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发表时间：
2006-09
期刊：
影响因子：
--
通讯作者：
E. Durgun;S. Ciraci
中科院分区：
文献类型：
--
作者：
E. Durgun;S. Ciraci
TM原子的d电子数。我们还表明，吸附在单壁碳纳米管上的特定过渡金属原子链可以导致少数自旋带具有半导体特性，但大多数自旋带具有半金属特性。即使当下面的单壁碳纳米管受到高径向应变时，自旋极化也能保持。当TM原子吸附在SWNT的有限片段上时，自旋相关的电子结构变得离散。一旦与非磁性金属电极耦合，这些磁针或纳米磁体就可以充当自旋相关的共振隧道器件。这些纳米磁体的电子和磁性特性可以根据吸附的TM原子的类型和装饰以及管的尺寸和对称性进行设计。我们的研究是通过使用自旋极化密度泛函方法中的第一原理赝势平面波方法进行的。
number of d electrons of the TM atom. We also show that specific chains of transition-metal atoms adsorbed on a SWNT can lead to semiconducting properties for the minority spin bands, but semimetallic for the majority spin bands. Spin polarization is maintained even when the underlying SWNT is subjected to high radial strain. Spin-dependent electronic structure becomes discretized when TM atoms are adsorbed on finite segments of SWNTs. Once coupled with nonmagnetic metal electrodes, these magnetic needles or nanomagnets can perform as spin-dependent resonant tunneling devices. The electronic and magnetic properties of these nanomagnets can be engineered depending on the type and decoration of adsorbed TM atom as well as the size and symmetry of the tube. Our study is performed by using first-principles pseudopotential plane wave method within spin-polarized density functional method.