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Probing Gold-Doped Germanene Nanoribbons for Nanoscale Interconnects Under DFT-NEGF Framework
Journal of Electronic Materials ( IF 2.2 ) Pub Date : 2020-04-07 , DOI: 10.1007/s11664-020-08104-y
Varun Sharma , Pankaj Srivastava

Gold-doped germanene nanoribbons (Au-GeNRs) are investigated for their potential as interconnects, using density functional theory combined with nonequilibrium Green’s function formalism. Various stable doping sites for both zigzag and armchair GeNRs (ZGeNR and AGeNR) are investigated. Based on formation energy (\(E_{{{\mathrm{FE}}}}\)) analysis, all considered Au-GeNRs are revealed to be thermodynamically stable. The analysis also shows that near-edge-doped ZGeNR (with \(E_{{{\mathrm{FE}}}} = -3.46\) eV) is the most stable configuration. It is shown through \(E-k\) structures and density-of-states profiles that Au-doping results in metallic GeNR irrespective of the edge states and ribbon width. To further explore the prospects for the use of Au-doped GeNR for interconnect applications, important small-signal dynamic parameters (including \(R_Q, L_K,\) and \(C_Q\)) for various doped configurations are explored. The present investigations also take into account the effect of bias voltage on \(R_Q, L_K, C_Q\). It is revealed that, with the exception of the edge-doped ZGeNR configuration, bias voltage has a prominent effect on these parameters for every configuration. Thus, edge-doped ZGeNR (with \(L_K = 4.41\) nH/\(\upmu \)m, \(C_Q = 4.21\) pF/cm) represents a potential candidate for nanoscale interconnect applications among the considered configurations.



中文翻译:

在DFT-NEGF框架下探测金掺杂的锗烯纳米带,用于纳米级互连。

使用密度泛函理论和非平衡格林函数形式论,研究了金掺杂锗烯纳米带(Au-GeNRs)作为互连体的潜力。研究了锯齿形和扶手椅形GeNR(ZGeNR和AGeNR)的各种稳定掺杂位点。根据地层能量(\(E _ {{{\ mathrm {FE}}}} \))分析,发现所有考虑的Au-GeNR都是热力学稳定的。分析还表明,近边缘掺杂的ZGeNR(具有\(E _ {{{mathrm {FE}}}} = -3.46 \)  eV)是最稳定的配置。通过\(Ek \)显示无论边缘状态和带宽度如何,金掺杂都会导致金属GeNR的结构和状态密度分布。为了进一步探索将Au掺杂的GeNR用于互连应用的前景,探索了各种掺杂配置的重要小信号动态参数(包括\(R_Q,L_K,\)\(C_Q \))。目前的研究还考虑了偏置电压对\(R_Q,L_K,C_Q \)的影响。结果表明,除了边缘掺杂的ZGeNR配置以外,偏置电压对每种配置的这些参数都有显着影响。因此,边缘掺杂ZGeNR(\(L_K = 4.41 \)  nH / \(\ upmu \) m,\(C_Q = 4.21 \) pF / cm)代表了所考虑配置中纳米级互连应用的潜在候选者。

更新日期:2020-04-07
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