| About this Abstract |
| Meeting |
MS&T24: Materials Science & Technology
|
| Symposium
|
Advances in Emerging Electronic Nanomaterials: Towards Next-Generation Microelectronics
|
| Presentation Title |
First Principles Study of the Electronic Structure at the Interfaces of vdW Heterostructure |
| Author(s) |
Towfiq Ahmed, Jinkyoung Young |
| On-Site Speaker (Planned) |
Towfiq Ahmed |
| Abstract Scope |
The ‘Lego Block’ concept for vdW heterostructure opened promising avenues which can revolutionize semiconductor and microelectronics research. To achieve superior functional performance and structural stability of vdW heterostructures, it is important to understand the electronic structure at the interfaces of these systems. In many cases, density functional theory based first principles methods can provide important physical and chemical insights into the formation mechanisms of such heterostructure systems. In this presentation, we will go through some recent progress in computational modeling and simulation which were developed to understand interfacial phenomenon such as vdW remote epitaxy, dipole engineering and charge transfer in different 2D/3D systems. In each of these cases, our modeling and simulation either provided explanation of experimental observation or predicted control parameters to optimize experimental growth of target heterostructure, thus demonstrating the importance and effectiveness of first principles-based approaches for developing vdW systems. |