Ab initio Study of High-k Dielectrics

Structural and Electronic Properties of Crystalline and Amorphous High-k Dielectrics from ab initio Molecular Dynamics
Salvatore Maria Amoroso
PhD Student

DEI ed. 23 - Beta Room
November 11th, 2010


Silicon-based microelectronic technology has undergone a paradigm shift at the beginning of this century replacing silicon dioxide by a gate material with a higher dielectic constant. Hafnium oxide and zirconium oxide are currently among the most intensively studied high-k materials for CMOS applications. On the other hand, tantalum pentaoxide has received much attention for DRAM applications. Finally, amorphous silicon nitride is widely used as gate dielectric in the triple ONO (Oxide-Nitride-Oxide) stack for non-volatile memory applications. The aim of this work is the investigation of the structural and electronic properties of the aforementioned materials, both in their crystalline and amorphous phases, by means of ab-initio Density Functional Theory (DFT) Car-Parrinello molecular dynamics.

Salvatore Maria Amoroso

Research area:
Microelectronics and Emerging Technologies