Bhuyan Prabal Dev, Gupta Sanjeev K, Ahuja Rajeev, Gajjar P N
Computational Materials and Nanoscience Group, Department of Physics and Electronics, St. Xavier's College, Ahmedabad, 380009, India.
Department of Physics, University School of Sciences, Gujarat University, Ahmedabad, 380009, India.
Sci Rep. 2021 Jan 11;11(1):433. doi: 10.1038/s41598-020-79921-8.
We have investigated a new metallic core-shell nanowire (NW) geometry of that could be obtained experimentally, that is silicon (Si) and germanium (Ge) NWs with cores constituted by group-10 elements palladium (Pd) and platinum (Pt). These NWs are optimized with two different diameters of 1.5 Å and 2.5 Å. The nanowires having diameter of 1.5 Å show semi-metallic nature with GGA-PBE calculation and metallic nature while spin orbit interaction (SOC) is included. The quantum conductance of the NWs increases with the diameter of the nanowire. We have investigated current-voltage (IV) characteristics for the considered NWs. It has been found that current values in accordance with applied voltage show strong dependence on the diameter of the NWs. The optical study of the NWs shows that absorption co-efficient peak moves to lower energies; due to quantum confinement effect. Furthermore, we have extensively studied optical response of Pd and Pt based core-shell NWs in O and CO environment. Our study on Si and Ge based metallic core/shell NW show a comprehensive picture as possible electron connector in future nano-electronic devices as well as nano gas detector for detecting O gas.
我们研究了一种可通过实验获得的新型金属核壳纳米线（NW）结构，即硅（Si）和锗（Ge）纳米线，其核心由第10族元素钯（Pd）和铂（Pt）构成。这些纳米线通过1.5 Å和2.5 Å两种不同直径进行了优化。直径为1.5 Å的纳米线在GGA-PBE计算下显示出半金属性质，而在包含自旋轨道相互作用（SOC）时显示出金属性质。纳米线的量子电导随纳米线直径的增加而增大。我们研究了所考虑纳米线的电流-电压（IV）特性。已发现与施加电压一致的电流值强烈依赖于纳米线的直径。纳米线的光学研究表明，由于量子限制效应，吸收系数峰值向更低能量移动。此外，我们广泛研究了基于Pd和Pt的核壳纳米线在O和CO环境中的光学响应。我们对基于Si和Ge的金属核/壳纳米线的研究展示了其作为未来纳米电子器件中可能的电子连接器以及用于检测O气体的纳米气体探测器的全面情况。
