Effects of silver adatoms on the electronic structure of silicene
Küçük Resim Yok
Tarih
2014
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier Science Bv
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
This paper presents the adsorption of Ag adatoms on silicene surface using first-principles plane wave calculations within density functional theory. It is obtained that silver adatoms form strong bonds with the silicene yielding significant binding energies. The bare silicene, which is a nonmagnetic semimetal, becomes either nonmagnetic metal or semiconductor depending on the number of adsorbed silver atoms. Because of the charge transfer from adatoms to silicene, bonding and antibonding pi bands crossing linearly at the Fermi level shift 0.35 eV below the Fermi level for both single and trimer Ag adsorption. Ag dimer adsorbed silicene becomes a narrow gap semiconductor with E-g = 0.112 eV. (C) 2014 Elsevier B.V. All rights reserved.
Açıklama
Anahtar Kelimeler
Silicene, Density functional theory, Silver adsorption
Kaynak
Applied Surface Science
WoS Q Değeri
Q1
Scopus Q Değeri
Q1
Cilt
311
