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Utilization of Interface Potential

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Work Function and Band Alignment of Electrode Materials

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Abstract

This chapter handles interface band alignment that can not be controlled by S parameter. Such band alignment appears to have something to do with the generalized charge neutrality level (generalized CNL). However, to discuss the generalized CNL quantitatively, density functional theory (DFT) calculations for each interface are necessary. Without DFT calculations, some experimental examples are demonstrated for interface termination and interface layer insertion. For interface termination (interface modification at 1 atomic thickness without changing the bulk), interface between Al2O3 and some metals is explained as well as interface between ZnO and some metals. The chemical bonding at these interfaces is discussed, which the concept of the generalized CNL is based on. As for 1-atomic-thick layer (mostly dielectric layer) insertion at the interface, H passivation (insertion of H at the interface) and insertion of 0.5-nm-thick LiF or MgO are presented. More than 1.5 eV difference in the Schottky barrier height has been observed by H passivation at the interface between diamond and several metals. An effect of LiF or CsF layer insertion is also demonstrated at the interface between an organic semiconductor and a metal.

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  • 19 February 2021

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Correspondence to Michiko Yoshitake .

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Yoshitake, M. (2021). Utilization of Interface Potential. In: Work Function and Band Alignment of Electrode Materials. NIMS Monographs. Springer, Tokyo. https://doi.org/10.1007/978-4-431-56898-8_7

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