[16p-Z26-1~15] CS.5 Code-sharing Session of 6.1 & 13.3 & 13.5

▼ [16p-Z26-6] A First-Principles Study on Ferroelectric Phase Formation of Si-Doped HfO₂

〇(P)Jixuan Wu¹, Fei Mo¹, Takuya Saraya¹, Toshiro Hiramoto¹, Masaharu Kobayashi¹ (1.IIS, Univ. of Tokyo)

Keywords:Ferroelectric materials, First-principles simulation, Si-doped HfO2

Ferroelectric materials have been widely used in low-power memory devices for many years. With the demand for high density, HfO₂-based ferroelectric has been attracting much attention in recent years because it shows ferroelectricity even below 10nm, which is promising for device scaling [1-2]. In this work, to understand ferroelectric phase formation in thermal process, we study fundamental thermodynamics and kinetics of pure and Si-doped HfO₂ at finite size and finite temperature including surface energy, entropy based on first-principles simulation.