First-Principles Studies of the Electronic and Dielectric Properties of Si/SiO

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概要

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• In an effort to link first-principles electronic structure information with device-level modeling and simulations, first-principles calculations were performed to model Si/SiO<inf>2</inf>/HfO<inf>2</inf>gate stacks, and models of their interfaces were developed. The electronic and dielectric properties, including the band edge and the local dielectric constant profiles, were investigated and found to display non-abrupt transitions at the hetero-material boundaries. The first-principles equivalent oxide thickness (EOT) parameter was introduced to represent the overall dielectric characteristics of the gate stack. The role of defects in the oxides was investigated by performing first-principles calculations of a Si/SiO<inf>2</inf>/HfO<inf>2</inf>slab model with an oxygen vacancy near the SiO<inf>2</inf>/HfO<inf>2</inf>interface. The oxygen vacancy was found to reduce the EOT.

• 2013-04-25

著者

• Chang Hyunju

  Advanced Materials Div. Korea Research Institute Of Chemical Technology

• Park Yongjin

  Advanced Materials Division, Korea Research Institute of Chemical Technology, Daejeon 305-343, Republic of Korea

• Kong Ki-jeong

  Advanced Materials Division, Korea Research Institute of Chemical Technology, Daejeon 305-343, Republic of Korea

• Shin Mincheol

  Department of Electrical Engineering, Korea Advanced Institute of Science and Technology, Daejeon 305-701, Republic of Korea

関連論文

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• Ab Initio Calculation of Excited States of GdOBr:Ce3+
• First-Principles Studies of the Electronic and Dielectric Properties of Si/SiO

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