Abstract Using the first-principle calculations, we study the electronic band structure, density of state (DOS), effective mass, quantum capacitance, transmission spectrum, and current–voltage characteristic of armchair silicene nanoribbons (ASiNRs) doped with aluminum (Al) and phosphorus (P) atoms. ASiNR is an intrinsic semiconductor, and depending on the type of impurity atoms applied, it becomes an n -type and p -type semiconductor. Our numerical results show several open energy windows and different peaks in the transmission spectra under various applied bias. These effects cause nonlinear behavior in the current–voltage curves. Also, the value of current density for four samples is obtained as J pure > J Al > J P > J Al&P at a fixed voltage. The threshold voltage for these samples are given as V pure th > V Al th > V P th > V Al&P th . The effective masses of carriers increase in the pure and doped ASiNR systems are calculated from the band structures spectra. Moreover, the quantum capacitance of the pure and doped ASiNR is investigated for direct and reverse biases. The results of this work may be useful in novel phenomena such as nanoelectronics applications and near-infrared photodetectors.

中文翻译：

---

扶手椅式硅烯纳米带基 p-n 二极管中量子输运的第一性原理研究

摘要 利用第一性原理计算，我们研究了掺杂铝 (Al) 的扶手椅式硅烯纳米带 (ASiNRs) 的电子能带结构、态密度 (DOS)、有效质量、量子电容、透射光谱和电流-电压特性。磷 (P) 原子。ASiNR 是本征半导体，根据所施加的杂质原子的类型，它会变成 n 型和 p 型半导体。我们的数值结果显示了在各种应用偏压下透射光谱中的几个开放能量窗口和不同峰值。这些效应导致电流-电压曲线的非线性行为。此外，四个样品的电流密度值在固定电压下获得为 J pure > J Al > JP > J Al&P。这些样本的阈值电压为 V pure th > V Al th > VP th > V Al&P th 。从能带结构光谱计算纯和掺杂 ASiNR 系统中载流子的有效质量增加。此外，研究了纯 ASiNR 和掺杂 ASiNR 的量子电容的直接和反向偏置。这项工作的结果可能对纳米电子应用和近红外光电探测器等新现象有用。