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锗掺杂的磷烯纳米带中的电荷输运。

Charge transport in germanium doped phosphorene nanoribbons.

作者信息

Azizi Maryam, Ghavami Badie

机构信息

School of Nanoscience, Institute for Research in Fundamental Sciences (IPM) P. O. Box: 19395-5531 Tehran Iran

出版信息

RSC Adv. 2018 May 29;8(35):19479-19485. doi: 10.1039/c8ra03041c. eCollection 2018 May 25.

Abstract

New two dimensional structures containing phosphorus and germanium atoms are introduced for nanoelectronic applications. Under various bias voltages, electronic transport in the systems has been studied with the non-equilibrium Green's function formalism. - characteristics have been extracted. The density of states (DOS) and transmission spectra, (, ), have been investigated and it was shown that charge transport occurs when the bias voltage reaches about 1 . The negative differential resistance (NDR) appears in zigzag phosphorene nanoribbons (zPNRs) while it is completely suppressed after replacing edge phosphorus atoms with germanium ones. The calculated molecular projected self-consistent Hamiltonian (MPSH) shows that the spatial distribution of orbital levels has been affected by the electrodes. The studied structures have a band-gap of about 0.7 eV which absorbs light in the visible range and thus these structures could be interesting contenders for solar cells applications.

摘要

引入了包含磷和锗原子的新型二维结构用于纳米电子应用。在各种偏置电压下,利用非平衡格林函数形式研究了系统中的电子输运。提取了相关特性。研究了态密度(DOS)和透射谱(,),结果表明当偏置电压达到约1时发生电荷输运。锯齿形磷烯纳米带(zPNRs)中出现负微分电阻(NDR),而在用锗原子取代边缘磷原子后,负微分电阻被完全抑制。计算得到的分子投影自洽哈密顿量(MPSH)表明轨道能级的空间分布受到电极的影响。所研究的结构具有约0.7 eV的带隙,能吸收可见光范围内的光,因此这些结构可能是太阳能电池应用的有趣候选者。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/acd3/9080682/c94517312993/c8ra03041c-f1.jpg

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