用于超大规模共振隧穿二极管应用的氢化湾边氮化铝纳米带：一项计算密度泛函理论研究。

Hydrogenated cove-edge aluminum nitride nanoribbons for ultrascaled resonant tunneling diode applications: a computational DFT study.

作者信息

Kharwar Saurabh, Singh Sangeeta, Kaushik Brajesh Kumar

机构信息

Microelectronics & VLSI Lab, National Institute of Technology, Patna-800005, India.

Department of Electronics and Communication Engineering, Indian Institute of Technology Roorkee, Roorkee 247667, India.

出版信息

Nanotechnology. 2023 Mar 30;34(24). doi: 10.1088/1361-6528/acc035.

DOI:10.1088/1361-6528/acc035

PMID:36857765

Abstract

While synthesizing quasi-one-dimensional nanoribbons, there is a finite probability that edges have cove-edge defects. This paper focuses on the structural, electronic, and transport properties of cove-edge aluminum nitride nanoribbons (AlNNR) using density functional theory and the non-equilibrium Green's function (NEGF) method. The cove-edge AlNNRs are thermodynamically stable and exhibit metallic behavior. Interestingly, the calculated current-voltage characteristics of the cove-edge AlNNR-based nanodevices show negative differential resistance (NDR). The H-AlN-Cove nanodevice exhibits high peak-to-valley current ratio (PVCR) of the order of 10. The calculated PVCR of the H-AlN-Cove nanodevice is 10times higher than that of the silicene nanoribbon (SiNR) and graphene nanoribbon (GNR), and 10times higher than that of the phosphorene nanoribbon (PNR) and arsenene nanoribbons (ANR)-based devices respectively. The NDR feature with high PVCR provides a prospect for the cove-edge AlNNR in nanodevice applications.

摘要

在合成准一维纳米带时，边缘存在凹边缺陷的概率是有限的。本文采用密度泛函理论和非平衡格林函数（NEGF）方法，重点研究了凹边氮化铝纳米带（AlNNR）的结构、电子和输运性质。凹边AlNNR在热力学上是稳定的，并表现出金属行为。有趣的是，基于凹边AlNNR的纳米器件的计算电流-电压特性显示出负微分电阻（NDR）。H-AlN-Cove纳米器件表现出高达10的高峰谷电流比（PVCR）。计算得到的H-AlN-Cove纳米器件的PVCR分别比硅烯纳米带（SiNR）和石墨烯纳米带（GNR）高10倍，比磷烯纳米带（PNR）和砷烯纳米带（ANR）基器件高10倍。具有高PVCR的NDR特性为凹边AlNNR在纳米器件应用中提供了前景。