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Comparative Study of Electronic Properties of Point Defects in Monoclinic Hafnium Dioxide

Published online by Cambridge University Press:  01 February 2011

Valerie Cuny  and
Nicolas Richard
Valerie Cuny
Affiliation:
[email protected], CEA, DIF, BP 12, Bruyères-le-Châtel, 91680, France
Nicolas Richard
Affiliation:
[email protected], DIF, CEA, BP 12, Bruyères-le-Châtel, 91680, France
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Abstract

Continuous downscaling of transistor leads silicon dioxide constituting the gate in typical metal oxide semiconductor field effect (MOSFET) to its limits. One possibility is to replace SiO2 by a material of higher dielectric constant (high-k). Hafnium dioxide seems to be the most promising one. However, high-k transistor performances are often affected by the presence of defects creating charge traps or diffusion centers. In this paper, using a pseudopotential plane wave code in the density-functional total theory framework, we calculate in a monoclinic HfO2 supercell the structure, formation and ionization energies, electron affinities of intrinsic defects (oxygen vacancy and interstitial, and hafnium vacancy). We consider different charge states of these defects. The positions of defect levels with respect to the bottom of silicon conduction band are determined. Our results will be discussed and compared to literature data.

Keywords

Hfsimulationdefects
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 996: Symposium H – Characterization of Oxide/Semiconductor Interfaces for CMOS Technologies , 2007 , 0996-H05-05
Copyright
Copyright © Materials Research Society 2007

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