摘要
二维异质结具有新颖的物理和化学性质,在纳米电子器件中具有重要应用前景。本文构建了一种新型BC_(6)N/BN横向异质结,基于第一性原理结合非平衡态格林函数方法,对其结构稳定性、电子结构、电导率及伏安特性进行了系统研究。稳定的BC_(6)N/BN横向异质结拥有2.01 eV的直接带隙,异质结界面处产生静电势差,电子与空穴在界面形成了电势垒。相较于两个单层材料,BC_(6)N/BN横向异质结的电导率显著降低,并展现出强烈的各向异性。伏安特性显示:异质结在0~2.5 V的电压范围内几乎不产生电流;正向电压超过3 V后电流呈现线性增长趋势;反向电压从3 V增加到5.5 V的过程中仅有微弱电流,超过5.5 V时电流呈非线性增长。因此,BC_(6)N/BN横向异质结具有各向异性的电导率与单向导通特性,该研究为纳米电子器件的设计和制备提供重要理论基础。
The two-dimensional heterostructures have outstanding physical and chemical properties that make them promising applications in nanoelectronic devices.A novel BC_(6)N/BN lateral heterostructure was constructed,and the structural stability,electronic structure,conductivity and volt-ampere characteristics of BC_(6)N/BN lateral heterostructure were investigated by the first-principles combined with the non-equilibrium Green's function.The BC_(6)N/BN lateral heterostructure not only exhibits dynamic stability but also possesses a direct bandgap of 2.01 eV,static potential difference generated at heterojunction interface,electrons and holes form an electrical barrier at the interface.Compared to the BC_(6)N and BN monolayers,the conductivity of BC_(6)N/BN lateral heterostructure is significantly reduced and exhibits strong anisotropy.The volt-ampere characteristics of the BC_(6)N/BN lateral heterostructure show that almost no current is generated in the voltage range of 0 to 2.5 V.After the forward voltage exceeds 3 V,the current shows a linear increase trend;during the process of increasing the reverse voltage from 3 V to 5.5 V,there is only a weak current.When the reverse voltage exceeds 5.5 V,the current increases nonlinearly.Therefore,the BC_(6)N/BN lateral heterostructure has anisotropic conductivity and unidirectional conductivity characteristics,which can provide the important theoretical basis for the design and preparation of nanoelectronics devices.
作者
解忧
肖潇飒
姜宁宁
张涛
XIE You;XIAO Xiaosa;JIANG Ningning;ZHANG Tao(College of Sciences,Xi’an University of Science and Technology,Xi’an 710054,China)
出处
《人工晶体学报》
北大核心
2025年第5期825-831,共7页
Journal of Synthetic Crystals
基金
国家自然科学基金(52474252,12474468)
陕西省自然科学基金(2023JCYB014,2025JC-YBMS-065)。
