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Applied Physics Letters / Volume 98 / Issue 8 / DIELECTRICS AND FERROELECTRICITY

Appl. Phys. Lett. 98, 082904 (2011); http://dx.doi.org/10.1063/1.3554703 (3 pages)

Structural and energetic origin of defects at the interface between germanium and a high-k dielectric from first principles

S. D. Elliott and J. C. Greer

Tyndall National Institute, University College Cork, Lee Maltings, Cork, Ireland

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(Received 10 September 2010; accepted 2 January 2011; published online 23 February 2011)

Atomic-scale models of the abrupt high-k/Ge interface with a range of suboxide stoichiometries GeOx are presented and compared to their Si analogs. Molecular dynamics and geometry optimization were carried out at the density functional theory level to yield structures and energetics. Cohesion across the interface becomes stronger with increasing oxidation of the Ge suboxide. Three-coordinate Ge is identified as the main defect and is formed at low energetic cost, which accounts for the observed abundance of defects at oxide/Ge interfaces. The optimum low temperature interface is defect-free, predominantly Ge2+ with some Ge+.

© 2011 American Institute of Physics

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KEYWORDS and PACS

Keywords

ab initio calculations, defect states, density functional theory, elemental semiconductors, germanium, hafnium compounds, high-k dielectric thin films, interface structure, molecular dynamics method, semiconductor-insulator boundaries, stoichiometry

PACS

  • 68.35.Ct

    Interface structure and roughness

  • 71.55.-i

    Impurity and defect levels

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3554703

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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    H. Statz, L. Davis, Jr., and D. A. deMars, Phys. Rev. 98, 540 (1955).

    L. Tsetseris and S. T. Pantelides, Appl. Phys. Lett. 95, 262107 (2009)APPLAB000095000026262107000001.

    P. Broqvist, J. F. Binder, and A. Pasquarello, Appl. Phys. Lett. 94, 141911 (2009)APPLAB000094000014141911000001.

    A. Ourmazd, D. W. Taylor, J. A. Tentschler, and J. Bevk, Phys. Rev. Lett. 59, 213 (1987).

    G. Pourtois, M. Houssa, A. Delabie, T. Conard, M. Caymax, M. Meuris, and M. M. Heyn, Appl. Phys. Lett. 92, 032105 (2008)APPLAB000092000003032105000001.

    M. Houssa, G. Pourtois, M. Caymax, M. Meuris, M. M. Heyns, V. V. Afanas'ev, and A. Stesmans, Appl. Phys. Lett. 93, 161909 (2008)APPLAB000093000016161909000001.

    J. R. Weber, A. Janotti, P. Rinke, and C. G. Van de Walle, Appl. Phys. Lett. 91, 142101 (2007)APPLAB000091000014142101000001.

    S. Baldovino, A. Molle, and M. Fanciulli, Appl. Phys. Lett. 96, 222110 (2010)APPLAB000096000022222110000001.

    S. Monaghan, J. C. Greer, and S. D. Elliott, Phys. Rev. B 75, 245304 (2007).

    J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).

    P. E. Blöchl, Phys. Rev. B 50, 17953 (1994).

    A. Stirling, A. Pasquarello, J. -C. Charlier, and R. Car, Phys. Rev. Lett. 85, 2773 (2000).


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