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Dimer Reconstruction at Metal-Silicide/Silicon Interfaces: A First-Principles Study

Published online by Cambridge University Press:  10 February 2011

B. D. Yu ,
Y. Miyamoto ,
O. Sugino ,
A. Sakai ,
T. Sasaki  and
T. Ohno
B. D. Yu
Affiliation:
Fundamental Research Laboratories, NEC Corporation, 34 Miyukigaoka, Tsukuba 305–8501, JAPAN, ybd@newton.uos.ac.kr
Y. Miyamoto
Affiliation:
Fundamental Research Laboratories, NEC Corporation, 34 Miyukigaoka, Tsukuba 305–8501, JAPAN, ybd@newton.uos.ac.kr
O. Sugino
Affiliation:
Fundamental Research Laboratories, NEC Corporation, 34 Miyukigaoka, Tsukuba 305–8501, JAPAN, ybd@newton.uos.ac.kr
A. Sakai
Affiliation:
Fundamental Research Laboratories, NEC Corporation, 34 Miyukigaoka, Tsukuba 305–8501, JAPAN, ybd@newton.uos.ac.kr
T. Sasaki
Affiliation:
National Research Institute for Metals, 1–2–1 Sengen, Tsukuba 305, JAPAN
T. Ohno
Affiliation:
National Research Institute for Metals, 1–2–1 Sengen, Tsukuba 305, JAPAN
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Abstract

By employing first-principles total-energy calculations we studied the atomic and chemical structure of NiSi2/Si(001) and CoSi2/Si(001) interfaces that are of great importance in understanding electronic properties, such as the Schottky-barrier height, of metal-silicide/silicon junctions. We found a new structural model that is more stable than previously proposed models of interface structures and well explains existing experimental data. The new interface model consists of sevenfold-coordinated interfacial metals and a 2×1 periodic array of interfacial Si dimers, similar to the Si(001) 2×1 surface reconstruction, reducing the number of dangling bonds.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 564: Symposium N – Advanced Interconnects and Contacts , 1999 , 103
Copyright
Copyright © Materials Research Society 1999

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