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VASP simulation in semiconductors study from materials engineering to band alignment

This Week's Webinar: 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 will explore the structural and electronic properties of Ga2O3 through VASP calculations with both the PBE and hybrid functionals and illustrate the dynamic interplay between innovative device engineering based on Column III oxides and new materials design approaches.

This webinar provides 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.
MedeA® offers a powerful, versatile platform and tool suite for material exploration and design including the Vienna Ab-Initio Simulation Package (VASP), the world's leading first-principles electronic structure computational tool for solids, surfaces, and interfaces.

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