Adsorption and Surface Diffusion of Atomic Ru on TiN and SiO2: A First-Principles Study

Author:

Ahn Changhyun1,Jung Ju Hyeon1,Kim Jae Jung1,Lee Dong-Chan1,Shong Bonggeun1ORCID

Affiliation:

1. Department of Chemical Engineering, Hongik University, Seoul 04066, Republic of Korea

Abstract

Ruthenium (Ru) has been suggested as one of the promising materials for nanoscale interconnects to substitute copper (Cu) that is currently used in the semiconductor industry. Through density functional theory (DFT) calculations, we present the rationales for varying deposition behavior of Ru on different types of substrates. For the SiO2 and TiN substrates, with and without adsorbed hydrogen, our calculation results reveal the adsorption sites and their adsorption energy, the surface diffusion paths and their activation energy, and the surface diffusion coefficients. We confirm that the adsorption of Ru is more stable on TiN than on SiO2 substrates, and that the surface diffusion of Ru adatom is faster on TiN than on SiO2 surface.

Funder

MOTIE

KSRC

Korea Institute for Advancement of Technology

National Research Foundation of Korea

Publisher

MDPI AG

Subject

Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces

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