Modeling and characterization of atomically sharp "perfect" Ge/SiC2 interfaces

Wolfgang Windl; Tao Liang; Sergei Lopatin; Gerd Duscher

doi:10.1016/j.mseb.2004.07.041

Modeling and characterization of atomically sharp "perfect" Ge/SiC₂ interfaces

Wolfgang Windl^*, Tao Liang, Sergei Lopatin, Gerd Duscher

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

We have shown that oxidation of germanium-implanted Si can produce a pile-up of Ge in front of the oxidation front and produce an atomically-sharp interface. In this paper, we examine band-structure and processing of such an interface. Based on ab-initio calculations, the band structure of the sharp interface seems to be more favorable for use in electronic devices than the usually diffuse interface in Si/SiC₂. Furthermore, we propose an ab-initio based Monte-Carlo model to simulate oxidation of SiGe alloys. The model explains the formation of the sharp interface due to the repulsive interaction between O and Ge. Furthermore, inclusion of Ge into the oxide is predicted for higher Ge concentrations, in agreement with experiment.

Original language	English (US)
Pages (from-to)	156-161
Number of pages	6
Journal	Materials Science and Engineering B: Solid-State Materials for Advanced Technology
Volume	114-115
Issue number	SPEC. ISS.
DOIs	https://doi.org/10.1016/j.mseb.2004.07.041
State	Published - Dec 15 2004
Externally published	Yes

Bibliographical note

Funding Information:
This work was funded by the Semiconductor Research Corporation under contract number 2002-MJ-1018, the National Science Foundation under contract number 0244724, and the U.S. Department of Energy under contract number DE-AC05-00OR22725. We also thank the Ohio Supercomputer Center for supercomputer time under project number PAS0072.

Keywords

Ab-initio calculations
Ge/SiO interfaces
Oxidation

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Access to Document

10.1016/j.mseb.2004.07.041

Cite this

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title = "Modeling and characterization of atomically sharp {"}perfect{"} Ge/SiC2 interfaces",

abstract = "We have shown that oxidation of germanium-implanted Si can produce a pile-up of Ge in front of the oxidation front and produce an atomically-sharp interface. In this paper, we examine band-structure and processing of such an interface. Based on ab-initio calculations, the band structure of the sharp interface seems to be more favorable for use in electronic devices than the usually diffuse interface in Si/SiC2. Furthermore, we propose an ab-initio based Monte-Carlo model to simulate oxidation of SiGe alloys. The model explains the formation of the sharp interface due to the repulsive interaction between O and Ge. Furthermore, inclusion of Ge into the oxide is predicted for higher Ge concentrations, in agreement with experiment.",

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author = "Wolfgang Windl and Tao Liang and Sergei Lopatin and Gerd Duscher",

note = "Funding Information: This work was funded by the Semiconductor Research Corporation under contract number 2002-MJ-1018, the National Science Foundation under contract number 0244724, and the U.S. Department of Energy under contract number DE-AC05-00OR22725. We also thank the Ohio Supercomputer Center for supercomputer time under project number PAS0072.",

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AU - Windl, Wolfgang

AU - Liang, Tao

AU - Lopatin, Sergei

AU - Duscher, Gerd

N1 - Funding Information: This work was funded by the Semiconductor Research Corporation under contract number 2002-MJ-1018, the National Science Foundation under contract number 0244724, and the U.S. Department of Energy under contract number DE-AC05-00OR22725. We also thank the Ohio Supercomputer Center for supercomputer time under project number PAS0072.

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N2 - We have shown that oxidation of germanium-implanted Si can produce a pile-up of Ge in front of the oxidation front and produce an atomically-sharp interface. In this paper, we examine band-structure and processing of such an interface. Based on ab-initio calculations, the band structure of the sharp interface seems to be more favorable for use in electronic devices than the usually diffuse interface in Si/SiC2. Furthermore, we propose an ab-initio based Monte-Carlo model to simulate oxidation of SiGe alloys. The model explains the formation of the sharp interface due to the repulsive interaction between O and Ge. Furthermore, inclusion of Ge into the oxide is predicted for higher Ge concentrations, in agreement with experiment.

AB - We have shown that oxidation of germanium-implanted Si can produce a pile-up of Ge in front of the oxidation front and produce an atomically-sharp interface. In this paper, we examine band-structure and processing of such an interface. Based on ab-initio calculations, the band structure of the sharp interface seems to be more favorable for use in electronic devices than the usually diffuse interface in Si/SiC2. Furthermore, we propose an ab-initio based Monte-Carlo model to simulate oxidation of SiGe alloys. The model explains the formation of the sharp interface due to the repulsive interaction between O and Ge. Furthermore, inclusion of Ge into the oxide is predicted for higher Ge concentrations, in agreement with experiment.

KW - Ab-initio calculations

KW - Ge/SiO interfaces

KW - Oxidation

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