Defect configurations of high-k cations in germanium

Chroneos, A. and Dimoulas, A. (2012). Defect configurations of high-k cations in germanium. Journal of Applied Physics, 111(2), article no. 023714.

DOI: https://doi.org/10.1063/1.3679089

Abstract

At germanium/high-k interfaces cations and oxygen interstitials can diffuse into the germanium substrate. Here we employ density functional theory calculations to investigate the interaction of a range of such cations (Al, Y, Zr, Nb, La, and Hf) with intrinsic defects and oxygen in germanium. It is predicted that high-k cations strongly bind with lattice vacancies, oxygen interstitials, and A-centers. The implications for microelectronic device performance are discussed. (C) 2012 American Institute of Physics.

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