Vu Tuan V, Kartamyshev A I, Lavrentyev A A, Hieu Nguyen N, Phuc Huynh V, Nguyen Chuong V
Laboratory for Computational Physics, Institute for Computational Science and Artificial Intelligence, Van Lang University Ho Chi Minh City Vietnam
Faculty of Mechanical - Electrical and Computer Engineering, School of Technology, Van Lang University Ho Chi Minh City Vietnam.
RSC Adv. 2024 Nov 28;14(51):37975-37983. doi: 10.1039/d4ra06977c. eCollection 2024 Nov 25.
In this work, we investigate systematically the electronic properties and tunable contact behavior of the graphene/γ-GeSe heterostructure under applied electric fields and out-of-plane strains using first-principles calculations. At equilibrium, the heterostructure forms a p-type Schottky contact with low Schottky barrier, making it suitable for low-resistance electronic devices. The application of electric fields modulates the Schottky barriers, enabling transitions between p-type and n-type contacts and even Schottky to Ohmic contact. Similarly, strain engineering by adjusting the interlayer spacing effectively alters the contact types, with compressive strain reducing the Schottky barrier to zero, and tensile strain inducing a shift from p-type to n-type Schottky contact. Our findings provide a pathway for optimizing graphene/γ-GeSe heterostructures for multifunctional applications, emphasizing tunable electronic properties to enhance device performance.
在这项工作中，我们使用第一性原理计算系统地研究了施加电场和平面外应变下石墨烯/γ-锗硒异质结构的电子性质和可调谐接触行为。在平衡状态下，该异质结构形成具有低肖特基势垒的p型肖特基接触，使其适用于低电阻电子器件。施加电场可调制肖特基势垒，实现p型和n型接触之间的转变，甚至实现肖特基到欧姆接触的转变。同样，通过调整层间距进行应变工程有效地改变了接触类型，压缩应变将肖特基势垒降低到零，拉伸应变导致从p型到n型肖特基接触的转变。我们的研究结果为优化石墨烯/γ-锗硒异质结构以实现多功能应用提供了一条途径，强调了可调谐电子性质以提高器件性能。
