【線上研討會】半導體材料 VASP 模擬研究：從材料工程到能帶校準

A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment

In this webinar, Dr. Xiaoli Liu will share her experience with MedeA/VASP for studying Ga2O3-based materials. Recognized as an increasingly important ultra-wide bandgap material, Ga2O3 has captured the attention of researchers and material developers due to its exceptional properties that hold significant promise for applications in power electronics and optoelectronics. Xiaoli’s presentation will explore the structural and electronic properties of Ga2O3 through VASP calculations with both the PBE and hybrid functionals. The dynamic interplay between innovative device engineering based on Column III oxides and new materials design approaches will be illustrated. Additionally, this webinar will provide a detailed understanding based on accurate, quantitative first principles calculations of the Schottky barrier height (SBH) at metal-semiconductor interfaces. The core energy alignment technique and SBH modification via sulfur doping of an Si/NiSi2 contact will be demonstrated.

Registration

在這次網絡研討會中，劉博士將分享使用 MedeA/VASP 研究 Ga2O3 基材料的經驗。Ga2O3 被認為是一種越來越重要的超寬能隙材料，由於其卓越的性能，引起了研究人員和材料開發人員的關注，並在功率電子和光電子應用中有著重要的應用前景。將通過使用 PBE 和混合泛函的 VASP 計算來探索 Ga2O3 的結構和電子特性。將演示基於第三列氧化物的創新器件工程和新材料設計方法之間的動態相互作用。此外，此網絡研討會將通過準確、定量的第一性原理計算提供對金屬-半導體界面的薛丁基势高度（Schottky barrier height，SBH）的詳細了解。將演示核心能帶校準技術以及通過硫摻雜 Si/NiSi2 聯接來修改 SBH。

活動時間：2023年12月14日（星期四）下午3點 （台灣時間） 點我報名

MedeA® 提供了一個功能強大且多用途的平台和工具套件，用於材料探索和設計，包括Vienna Ab-Initio Simulation Package (VASP)，這是全球領先的固體、表面和界面第一性原理電子結構計算工具。