Electron–phonon interaction in In-induced √7 × √3 structures on Si(111) from first-principles


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Sklyadneva I. Y., Heid R., M. Echenique P., Chulkov E.

Physical Chemistry Chemical Physics, vol.23, no.13, pp.7955-7960, 2021 (SCI-Expanded, Scopus) identifier identifier

  • Nəşrin Növü: Article / Article
  • Cild: 23 Say: 13
  • Nəşr tarixi: 2021
  • Doi nömrəsi: 10.1039/d0cp05234e
  • jurnalın adı: Physical Chemistry Chemical Physics
  • Jurnalın baxıldığı indekslər: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Communication Abstracts, Compendex, EMBASE, INSPEC, MEDLINE
  • Səhifə sayı: pp.7955-7960
  • Açıq Arxiv Kolleksiyası: Məqalə
  • Adres: Bəli

Qısa məlumat

Electron-phonon interaction in the Si(111)-supported rectangular√7 × √3 phases of In is investigated within the density-functional theory and linear-response. For both single-layer and double-layer √7 × √3 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 levelλ(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 ofλ(EF). The agreement of the calculated parameterλ(EF) = 0.99 for a double-layer structure as well as the superconducting transition temperatureTc= 3.5 K with experimental estimates indicates that the discovered superconducting phase is probably a double-layer rectangular√7 × √3 -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.