Electrical degradation in high-k dielectrics based devices: A computational study

University Of Connecticut, Storrs CT

Investigators

Abstract

ABSTRACT Proposal Number: 0700172 Proposal Title: Electrical degradation in high-k dielectrics based devices: A computational study PI Name: Ramprasad, Ramamurthy PI Institution: University of Connecticut The objective of this research is to obtain a fundamental understanding of the degradation of the physical, and consequently, the electrical properties of next-generation microelectronic devices containing high dielectric constant (high-k) materials such as (HfO2)x(SiO2)y. The approach is based on a multi-scale computational strategy involving density functional theory and kinetic Monte Carlo simulations. Temperature and electric field-assisted changes in the atomic-level physical structure of Pt-(HfO2)x(SiO2)y-Si gate-stacks and the dynamics of point defects close to interfaces will be correlated to electrical properties such as defect states and band edge positions across interfaces. Coherent and disordered (HfO2)x(SiO2)y-Si and (HfO2)x(SiO2)y-Pt interfaces, and crystalline and amorphous (HfO2)x(SiO2)y with different compositions (x & y values) will be explicitly considered. Intellectual Merit: This research addresses a technologically important problem, and is timely. The variety of interfaces, defects and compositions to be considered will provide a comprehensive understanding necessary for a computation-guided design and optimization of next-generation microelectronic devices. Strong collaborations with experimentalists in industry will assist with the validation of the computations, and technology transfer. Broader Impact: The industrial experience of the PI will enhance the engineering education of students by broadening student exposure beyond the academic environment through interactions with industry. The PI will continue to refine and teach a Computational Materials & Device Science course, which is filling a gap in the current curricula of the Engineering, Physics and Chemistry departments at UConn. Outreach activities will be fostered in collaboration with local public libraries and high schools to increase public awareness in Nanotechnology.