Issue 13, 2021

Electron–phonon interaction in In-induced structures on Si(111) from first-principles

Abstract

Electron–phonon interaction in the Si(111)-supported rectangular Image ID:d0cp05234e-t3.gif phases of In is investigated within the density-functional theory and linear-response. For both single-layer and double-layer Image ID:d0cp05234e-t4.gif structures, it is found that the phonon-induced scattering of electrons is almost exclusively determined by vibrations of In atoms. It is shown that the strength of electron–phonon coupling at the Fermi level λ(EF) increases almost twofold upon adding the second In layer. One of the reasons is that additional low-frequency modes appear in the phonon spectrum, which favors a strong enhancement of λ(EF). The agreement of the calculated parameter λ(EF) = 0.99 for a double-layer structure as well as the superconducting transition temperature Tc = 3.5 K with experimental estimates indicates that the discovered superconducting phase is probably a double-layer rectangular Image ID:d0cp05234e-t5.gif-In structure on Si(111) with a coverage of 2.4 ML. This conclusion is also supported by good agreement between the calculated electron band structure and ARPES measurements.

Graphical abstract: Electron–phonon interaction in In-induced structures on Si(111) from first-principles

Article information

Article type
Paper
Submitted
05 Oct 2020
Accepted
04 Jan 2021
First published
05 Jan 2021

Phys. Chem. Chem. Phys., 2021,23, 7955-7960

Electron–phonon interaction in In-induced Image ID:d0cp05234e-t1.gif structures on Si(111) from first-principles

I. Yu. Sklyadneva, R. Heid, P. M. Echenique and E. V. Chulkov, Phys. Chem. Chem. Phys., 2021, 23, 7955 DOI: 10.1039/D0CP05234E

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