DOI: 10.1063/1.3122344. Migration of species in a prototype diffusion barrier: Cu, O, and H in TiN

Migration of species in a prototype diffusion barrier: Cu, O, and H in TiN

10.1063/1.3122344

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

Experimental data on the migration of Cu impurities in TiN and in similar diffusion-barriers used in electronic devices have led to conflicting suggestions about the underlying physical mechanisms. Here we use results of first-principles calculations, which are in agreement with measured activations energies, to elucidate the atomic-scale processes of moderate and rapid diffusion of Cu through the bulk and intergrain voids of TiN films, respectively. We also find that O and H impurities are fast diffusers in TiN. The results offer an assessment for the efficiency of TiN diffusion-barriers with respect to properties, such as nature of impurities, stoichiometry, and crystallinity.

Bibliography

Tsetseris, L., Logothetidis, S., & Pantelides, S. T. (2009). Migration of species in a prototype diffusion barrier: Cu, O, and H in TiN. Applied Physics Letters, 94(16).

Authors 3

L. Tsetseris (first)
S. Logothetidis (additional)
S. T. Pantelides (additional)

References 30 Referenced 34

10.1016/0040-6090(82)90429-1 / Thin Solid Films (1982)
10.1116/1.572580 / J. Vac. Sci. Technol. A (1984)
10.1063/1.347059 / J. Appl. Phys. (1990)
10.1146/annurev.matsci.30.1.363 / Annu. Rev. Mater. Sci. (2000)
10.1007/BF00331444 / Appl. Phys. A: Solids Surf. (1993)
10.1063/1.1631070 / J. Appl. Phys. (2004)
10.1063/1.2056583 / Appl. Phys. Lett. (2005)
10.1063/1.2800382 / Appl. Phys. Lett. (2007)
10.1063/1.2901035 / Appl. Phys. Lett. (2008)
10.1063/1.2955838 / Appl. Phys. Lett. (2008)
10.1007/s003390051062 / Appl. Phys. A: Mater. Sci. Process. (2000)
10.1016/S0040-6090(02)00602-8 / Thin Solid Films (2002)
10.1149/1.1392497 / J. Electrochem. Soc. (1999)
10.1149/1.1390776 / Electrochem. Solid-State Lett. (1999)
10.1149/1.1644355 / Electrochem. Solid-State Lett. (2004)
10.1016/j.mee.2007.04.076 / Microelectron. Eng. (2007)
10.1103/PhysRevB.78.094111 / Phys. Rev. B (2008)
10.1063/1.1897075 / Appl. Phys. Lett. (2005)
10.1109/TDMR.2007.910438 / IEEE Trans. Device Mater. Reliab. (2007)
10.1103/PhysRevB.45.13244 / Phys. Rev. B (1992)
10.1103/PhysRevB.50.17953 / Phys. Rev. B (1994)
10.1103/PhysRevB.59.1758 / Phys. Rev. B (1999)
10.1103/PhysRevB.8.5747 / Phys. Rev. B (1973)
10.1103/PhysRevB.25.7183 / Phys. Rev. B (1982)
10.1103/PhysRevLett.99.125503 / Phys. Rev. Lett. (2007)
10.1103/PhysRevB.76.224107 / Phys. Rev. B (2007)
10.1016/j.actamat.2008.02.020 / Acta Mater. (2008)
10.1016/0039-6028(94)00731-4 / Surf. Sci. (1995)
10.1103/PhysRevLett.62.1049 / Phys. Rev. Lett. (1989)
10.1103/PhysRevLett.64.1401 / Phys. Rev. Lett. (1990)

Dates

Type	When
Created	16 years, 4 months ago (April 21, 2009, 11:23 a.m.)
Deposited	2 years, 1 month ago (July 2, 2023, 10:44 a.m.)
Indexed	4 weeks, 2 days ago (July 30, 2025, 6:53 a.m.)
Issued	16 years, 4 months ago (April 20, 2009)
Published	16 years, 4 months ago (April 20, 2009)
Published Online	16 years, 4 months ago (April 20, 2009)
Published Print	16 years, 4 months ago (April 20, 2009)

Funders 0

None

BibTeX

@article{Tsetseris_2009, title={Migration of species in a prototype diffusion barrier: Cu, O, and H in TiN}, volume={94}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.3122344}, DOI={10.1063/1.3122344}, number={16}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Tsetseris, L. and Logothetidis, S. and Pantelides, S. T.}, year={2009}, month=apr }

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