Abstract
The effect of strain on both electronic and structural characteristics of HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> used for sub-50-nm semiconductor devices was analyzed by a quantum chemical molecular dynamics analysis. The band structure of HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> is strongly affected by strain in the film. Based on the change rate of band gap obtained from our simulations, the strain sensitivity of the relative permittivity of HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> film is predicted to about 2.4%/1%-strain. The predicted strain sensitivity was validated quantitatively by measuring the change of the capacitance of MOS capacitors using a HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> gate dielectric film. It is very important, therefore, to minimize the mechanical strain in the dielectric film to assure the reliability of MOS transistor.
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