Modification of the electronic transport in Au by prototypical impurities and interlayers

Majida M. Fadlallah; Cosima B. Schuster; Ulrich Eckern; Udo Schwingenschlögl

doi:10.1209/0295-5075/89/47003

Modification of the electronic transport in Au by prototypical impurities and interlayers

Majida M. Fadlallah, Cosima B. Schuster, Ulrich Eckern, Udo Schwingenschlögl

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Abstract

Electronic transport calculations for metallic interfaces based on density functional theory and a scattering theory on the Landauer-Büttiker level are presented. We study the modifications of the transport through Au due to prototypical impurities and interlayers. Our results show that the influence of S and Si impurities is well described in terms of simple vacancies. Metallic impurities and interlayers, on the other hand, have even more drastic effects, in particular when the Au s-d hybrid states at the Fermi energy are perturbed. The effects of a possible interface alloy formation are discussed in detail. © 2010 EPLA.

Original language	English (US)
Pages (from-to)	47003
Journal	EPL (Europhysics Letters)
Volume	89
Issue number	4
DOIs	https://doi.org/10.1209/0295-5075/89/47003
State	Published - Mar 9 2010

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: We thank I. Rungger, S. Sanvito, and P. Schwab for fruitful discussions as well as the Deutsche Forschungsgemeinschaft (SFB 484) and the Egyptian Missions System for financial support.

ASJC Scopus subject areas

General Physics and Astronomy

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10.1209/0295-5075/89/47003

Cite this

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title = "Modification of the electronic transport in Au by prototypical impurities and interlayers",

abstract = "Electronic transport calculations for metallic interfaces based on density functional theory and a scattering theory on the Landauer-B{\"u}ttiker level are presented. We study the modifications of the transport through Au due to prototypical impurities and interlayers. Our results show that the influence of S and Si impurities is well described in terms of simple vacancies. Metallic impurities and interlayers, on the other hand, have even more drastic effects, in particular when the Au s-d hybrid states at the Fermi energy are perturbed. The effects of a possible interface alloy formation are discussed in detail. {\textcopyright} 2010 EPLA.",

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AU - Fadlallah, Majida M.

AU - Schuster, Cosima B.

AU - Eckern, Ulrich

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: We thank I. Rungger, S. Sanvito, and P. Schwab for fruitful discussions as well as the Deutsche Forschungsgemeinschaft (SFB 484) and the Egyptian Missions System for financial support.

PY - 2010/3/9

Y1 - 2010/3/9

N2 - Electronic transport calculations for metallic interfaces based on density functional theory and a scattering theory on the Landauer-Büttiker level are presented. We study the modifications of the transport through Au due to prototypical impurities and interlayers. Our results show that the influence of S and Si impurities is well described in terms of simple vacancies. Metallic impurities and interlayers, on the other hand, have even more drastic effects, in particular when the Au s-d hybrid states at the Fermi energy are perturbed. The effects of a possible interface alloy formation are discussed in detail. © 2010 EPLA.

AB - Electronic transport calculations for metallic interfaces based on density functional theory and a scattering theory on the Landauer-Büttiker level are presented. We study the modifications of the transport through Au due to prototypical impurities and interlayers. Our results show that the influence of S and Si impurities is well described in terms of simple vacancies. Metallic impurities and interlayers, on the other hand, have even more drastic effects, in particular when the Au s-d hybrid states at the Fermi energy are perturbed. The effects of a possible interface alloy formation are discussed in detail. © 2010 EPLA.

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JO - EPL (Europhysics Letters)

JF - EPL (Europhysics Letters)

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Modification of the electronic transport in Au by prototypical impurities and interlayers

Abstract

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