TY - JOUR
T1 - Modification of the electronic transport in Au by prototypical impurities and interlayers
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.
UR - http://hdl.handle.net/10754/561621
UR - https://iopscience.iop.org/article/10.1209/0295-5075/89/47003
UR - http://www.scopus.com/inward/record.url?scp=79051470187&partnerID=8YFLogxK
U2 - 10.1209/0295-5075/89/47003
DO - 10.1209/0295-5075/89/47003
M3 - Article
SN - 0295-5075
VL - 89
SP - 47003
JO - EPL (Europhysics Letters)
JF - EPL (Europhysics Letters)
IS - 4
ER -