First Demonstration of Atomic-Interlayer-Tuning Driven by First Principles Calculations and Atomic Layer Deposition Towards High Thermal Stable BEOL IGZO-FETs with SS=62mV/dec, PBTI < 7mV@ 3MV/cm and 353K

In this work, first principles calculations, combining AIMD and static calculation are incorporated in the ALD co-designing of IGZO-FETs for the first time, providing in-depth study into the defect kinetics. With emulation of ALD, the optimized IGZO-FETs with outstanding stability up to 500°C is achieved: (1) Sub-0.5nm ALD InO interlayer strengthens the PBTI stability by 51 times @3.5MV/cm, from ${\Delta} V_{\text{th}}=+174.1 \text{mV}$ (5.7V⁻¹) to 3.4mV (294.1V⁻¹). (2) PBTI = +6.9 mV; (3) 12.1mV @ +3MV/cm and 393K; (4) Endurance > 10¹¹ cycle with AC $V_{\mathrm{g},\text{bias}} \sim 2.8 \mathrm{V}$. The first-principles assisted experimental design is practically powerful for oxide FETs with multi-elements and complicated processing methods, and accelerating path-finding of Back-End-of-Line (BEOL) thermal stability enhancement.