Structural, electronic, mechanical, and transport properties of phosphorene nanoribbons: Negative differential resistance behavior
Structural, electronic, mechanical, and transport properties of phosphorene nanoribbons: Negative differential resistance behavior
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DOI：
10.1103/physrevb.94.075422
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发表时间：
2016-08-15
影响因子：
3.7
通讯作者：
Kanhere, Dilip G.
中科院分区：
文献类型：
--
作者：
Maity, Ajanta;Singh, Akansha;Kanhere, Dilip G.
用密度泛函理论和非平衡格林函数方法计算了两种不同类型的磷烯纳米带的结构、电子、机械和输运性质。扶手椅纳米带被证明是所有宽度的半导体。锯齿形纳米带在其层终止结构中是金属的，但在边缘经历了类似Peierls的转变。与单层相比，扶手椅纳米带具有较小的杨氏模数，而锯齿形纳米带具有较大的杨氏模数。边缘重构进一步提高了锯齿形纳米带的杨氏模数。一种由锯齿形纳米带制成的两端器件显示出负差分电阻行为，该行为对于边缘重建是稳健的。我们还计算了两个非零栅电压下的I-V特性。结果表明，锯齿形纳米带具有很强的p型特征。
Structural, electronic, mechanical, and transport properties of two different types of phosphorene nanoribbons are calculated within the density functional theory and nonequilibrium Green's function formalisms. Armchair nanoribbons turn out to be semiconductors at all widths considered. Zigzag nanoribbons aremetallic in their layer-terminated structure, but undergo Peierls-like transition at the edges. Armchair nanoribbons have smaller Young's modulus compared to a monolayer, while zigzag nanoribbons have larger Young's modulus. Edge reconstruction further increases the Young's modulus of zigzag nanoribbons. A two-terminal device made of zigzag nanoribbons show negative differential resistance behavior that is robust with respect to edge reconstruction. We have also calculated the I-V characteristics for two nonzero gate voltages. The results show that the zigzag nanoribbons display strong p-type character.