Structural and electronic properties of metal-silicide/silicon interfaces: A first-principles study

Byung Deok Yu; Yoshiyuki Miyamoto; Osamu Sugino; A. Sakai; T. Sasaki; T. Ohno

doi:10.1116/1.1381063

Structural and electronic properties of metal-silicide/silicon interfaces: A first-principles study

Byung Deok Yu, Yoshiyuki Miyamoto, Osamu Sugino, A. Sakai, T. Sasaki, T. Ohno

Department of Physics

Research output: Contribution to journal › Conference article › peer-review

29 Scopus citations

Abstract

As a complementary way to investigate the atomic structure of interfaces buried between two crystals, density-functional theory (DFT) calculations were used. DFT was applied to the atomic structure of MSi₂/Si(001) (where M=Ni,Co) interfaces that are very important in an understanding of the Schottky barrier formation at metal/semiconductor (MS) interfaces. By performing first-principles total-energy calculations, a new structural model for the MSi₂/Si(001) interface was found. The new model was found to be more stable than previously proposed interface models.

Original language	English
Pages (from-to)	1180-1185
Number of pages	6
Journal	Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures
Volume	19
Issue number	4
DOIs	https://doi.org/10.1116/1.1381063
State	Published - Jul 2001
Event	19th North American Conference on Molecular Beam Epitaxy (NAMBE-19) - Tempe, AZ, United States Duration: 15 Oct 2000 → 18 Oct 2000

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title = "Structural and electronic properties of metal-silicide/silicon interfaces: A first-principles study",

abstract = "As a complementary way to investigate the atomic structure of interfaces buried between two crystals, density-functional theory (DFT) calculations were used. DFT was applied to the atomic structure of MSi2/Si(001) (where M=Ni,Co) interfaces that are very important in an understanding of the Schottky barrier formation at metal/semiconductor (MS) interfaces. By performing first-principles total-energy calculations, a new structural model for the MSi2/Si(001) interface was found. The new model was found to be more stable than previously proposed interface models.",

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T1 - Structural and electronic properties of metal-silicide/silicon interfaces

T2 - 19th North American Conference on Molecular Beam Epitaxy (NAMBE-19)

AU - Yu, Byung Deok

AU - Miyamoto, Yoshiyuki

AU - Sugino, Osamu

AU - Sakai, A.

AU - Sasaki, T.

AU - Ohno, T.

PY - 2001/7

Y1 - 2001/7

N2 - As a complementary way to investigate the atomic structure of interfaces buried between two crystals, density-functional theory (DFT) calculations were used. DFT was applied to the atomic structure of MSi2/Si(001) (where M=Ni,Co) interfaces that are very important in an understanding of the Schottky barrier formation at metal/semiconductor (MS) interfaces. By performing first-principles total-energy calculations, a new structural model for the MSi2/Si(001) interface was found. The new model was found to be more stable than previously proposed interface models.

AB - As a complementary way to investigate the atomic structure of interfaces buried between two crystals, density-functional theory (DFT) calculations were used. DFT was applied to the atomic structure of MSi2/Si(001) (where M=Ni,Co) interfaces that are very important in an understanding of the Schottky barrier formation at metal/semiconductor (MS) interfaces. By performing first-principles total-energy calculations, a new structural model for the MSi2/Si(001) interface was found. The new model was found to be more stable than previously proposed interface models.

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M3 - Conference article

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SN - 1071-1023

VL - 19

SP - 1180

EP - 1185

JO - Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures

JF - Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures

IS - 4

Y2 - 15 October 2000 through 18 October 2000

ER -

Structural and electronic properties of metal-silicide/silicon interfaces: A first-principles study

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