Polarization in Ferroelectric Al-Ga-Sc-N: A First-Principles Investigation

Al-Ga-Sc-N materials have emerged as promising candidates for next-generation electronic and memory devices due to their unique properties and versatility. In this presentation, we will discuss the structural and electronic properties of the Al-Ga-Sc-N system upon varying the stoichiometry, focusing on calculations of the spontaneous polarization and the coercive field compared to available experimental data. Effects of composition on the bandgap, its deviation from Vegard's law, and the origins of the deviation, will be described. Our findings provide a comprehensive understanding of the ferroelectric properties of Al-Ga-Sc-N with a change of stoichiometry, laying the foundation for improvements and integration as high-electron-mobility transistors, non-volatile memory, and future electronics.