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Fundamentals of III-V Semiconductor MOSFETs pp 51–92Cite as

Theory of HfO2-Based High-k Dielectric Gate Stacks

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Abstract

Continuous scaling in semiconductor technology, associatsed with Moore’s law, brought new materials in every functional element of Si-based metal-oxide-semiconductor (MOS) field effect transistors (FET). In particular, for a gate dielectric instead of traditional SiO2 new HfO2-based oxides with higher dielectric constants are now used. The introduction of these so-called high-k dielectrics opened the possibility of using high mobility semiconductors instead of Si in MOS technology. In this chapter we discuss density functional calculations of high-k oxides hafnia and zironia. After briefly describing theoretical methods used in our calculations we discuss the bulk properties, surfaces and interfaces of hafnia and zirconia relevant to advanced gate stack engineering.

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Acknowledgements

We wish to thank Jaekwang Lee, Gennady Bersuker, John Robertson, John Ekerdt, Alex Navrotsky and many others for insightful conversations we have had over the years. This work in part is supported by the National Science Foundation under grants DMR-0548182 and DMR-0606464, and by the Office of Naval Research under grant N000 14-06-1-0362. All calculations are performed at the Texas Advanced Computing Center (TACC).

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  1. Department of Physics, The University of Texas at Austin, 78712, Austin, Texas, USA

    Alexander A. Demkov

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  1. Alexander A. Demkov
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  2. Xuhui Luo
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Correspondence to Alexander A. Demkov .

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Editors and Affiliations

  1. College of Nanoscale Science &, University at Albany - SUNY, Fuller Road 255, Albany, 12203, U.S.A.

    Serge Oktyabrsky

  2. Birck Nanotechnology Center, Purdue University, W. State Street 1205, West Lafayette, 47907-2057, U.S.A.

    Peide Ye

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Demkov, A., Luo, X., Sharia, O. (2010). Theory of HfO2-Based High-k Dielectric Gate Stacks. In: Oktyabrsky, S., Ye, P. (eds) Fundamentals of III-V Semiconductor MOSFETs. Springer, Boston, MA. https://doi.org/10.1007/978-1-4419-1547-4_4

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  • DOI: https://doi.org/10.1007/978-1-4419-1547-4_4

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