Quantum chemical molecular dynamics study of degradation mechanism of interface integrity between a HfO2 thin film and a metal gate electrode

Tatsuya Inoue; Ken Suzuki; Hideo Miura

doi:10.1109/SISPAD.2009.5290215

Quantum chemical molecular dynamics study of degradation mechanism of interface integrity between a HfO₂ thin film and a metal gate electrode

Tatsuya Inoue, Ken Suzuki, Hideo Miura

Tohoku University

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

3 Citations (Scopus)

Abstract

Control of the interfacial crystallographic structure between a dielectric film and a gate electrode is one of the most critical issues for assuring the high performance and the reliability of a stacked MOS structure using high-k dielectric thin films. In this study, quantum chemical molecular dynamics was applied to explicate the mechanism of degradation of interfacial integrity of the gate stack systems which is caused by point defects. We found that point defects such as oxygen and carbon interstitials deteriorate the electronic quality of a hafnium dioxide film and the W/HfO₂ interface structure. The estimated results were confirmed by experiments using synchrotron-radiation photoemission spectroscopy.

Original language	English
Title of host publication	SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices
DOIs	https://doi.org/10.1109/SISPAD.2009.5290215
Publication status	Published - 2009
Event	SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices - San Diego, CA, United States Duration: 2009 Sept 9 → 2009 Sept 11

Publication series

Name	International Conference on Simulation of Semiconductor Processes and Devices, SISPAD

Conference

Conference	SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices
Country/Territory	United States
City	San Diego, CA
Period	09/9/9 → 09/9/11

Keywords

Composition fluctuation
Hafnium oxide (HfO)
High-k dielectric
Metal-gate electrode
Quantum molecular dynamics
Synchrotron spectroscopy photoemission

Access to Document

10.1109/SISPAD.2009.5290215

Cite this

Inoue, T., Suzuki, K., & Miura, H. (2009). Quantum chemical molecular dynamics study of degradation mechanism of interface integrity between a HfO₂ thin film and a metal gate electrode. In SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices Article 5290215 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). https://doi.org/10.1109/SISPAD.2009.5290215

Inoue, Tatsuya ; Suzuki, Ken ; Miura, Hideo. / Quantum chemical molecular dynamics study of degradation mechanism of interface integrity between a HfO₂ thin film and a metal gate electrode. SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices. 2009. (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD).

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abstract = "Control of the interfacial crystallographic structure between a dielectric film and a gate electrode is one of the most critical issues for assuring the high performance and the reliability of a stacked MOS structure using high-k dielectric thin films. In this study, quantum chemical molecular dynamics was applied to explicate the mechanism of degradation of interfacial integrity of the gate stack systems which is caused by point defects. We found that point defects such as oxygen and carbon interstitials deteriorate the electronic quality of a hafnium dioxide film and the W/HfO2 interface structure. The estimated results were confirmed by experiments using synchrotron-radiation photoemission spectroscopy.",

keywords = "Composition fluctuation, Hafnium oxide (HfO), High-k dielectric, Metal-gate electrode, Quantum molecular dynamics, Synchrotron spectroscopy photoemission",

author = "Tatsuya Inoue and Ken Suzuki and Hideo Miura",

year = "2009",

doi = "10.1109/SISPAD.2009.5290215",

language = "English",

isbn = "9781424439492",

series = "International Conference on Simulation of Semiconductor Processes and Devices, SISPAD",

booktitle = "SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices",

note = "SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices ; Conference date: 09-09-2009 Through 11-09-2009",

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Inoue, T, Suzuki, K & Miura, H 2009, Quantum chemical molecular dynamics study of degradation mechanism of interface integrity between a HfO₂ thin film and a metal gate electrode. in SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices., 5290215, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices, San Diego, CA, United States, 09/9/9. https://doi.org/10.1109/SISPAD.2009.5290215

Quantum chemical molecular dynamics study of degradation mechanism of interface integrity between a HfO₂ thin film and a metal gate electrode. / Inoue, Tatsuya; Suzuki, Ken ; Miura, Hideo.
SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices. 2009. 5290215 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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N2 - Control of the interfacial crystallographic structure between a dielectric film and a gate electrode is one of the most critical issues for assuring the high performance and the reliability of a stacked MOS structure using high-k dielectric thin films. In this study, quantum chemical molecular dynamics was applied to explicate the mechanism of degradation of interfacial integrity of the gate stack systems which is caused by point defects. We found that point defects such as oxygen and carbon interstitials deteriorate the electronic quality of a hafnium dioxide film and the W/HfO2 interface structure. The estimated results were confirmed by experiments using synchrotron-radiation photoemission spectroscopy.

AB - Control of the interfacial crystallographic structure between a dielectric film and a gate electrode is one of the most critical issues for assuring the high performance and the reliability of a stacked MOS structure using high-k dielectric thin films. In this study, quantum chemical molecular dynamics was applied to explicate the mechanism of degradation of interfacial integrity of the gate stack systems which is caused by point defects. We found that point defects such as oxygen and carbon interstitials deteriorate the electronic quality of a hafnium dioxide film and the W/HfO2 interface structure. The estimated results were confirmed by experiments using synchrotron-radiation photoemission spectroscopy.

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Inoue T, Suzuki K , Miura H. Quantum chemical molecular dynamics study of degradation mechanism of interface integrity between a HfO₂ thin film and a metal gate electrode. In SISPAD 2009 - 2009 International Conference on Simulation of Semiconductor Processes and Devices. 2009. 5290215. (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). doi: 10.1109/SISPAD.2009.5290215