Theoretical investigation of charge accumulation layer on the Bi-induced InAs(111)-(2 x 2) surface
[ X ]
Tarih
2014
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
American Institute Physics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Based on pseudopotential method and density functional theory, we have investigated the stability, atomic geometry, and detailed electronic structures for Bi adsorbates on the InAs(111)-(2 x 2) surface with three different sites: (i) T-4 (Bi trimer centered on T-4 site), (ii) H-3 (Bi trimer centered on H-3 site), and (iii) T-4-H-3 (which is formed by trimers with opposite orientations: one centered on a T-4 site and the other on a H-3). Our total energy calculations suggest that adsorption on the T-4-H-3 site is the energetically most stable structure among the proposed structures. The electronic band structure calculations reveal the existence of an accumulation layer between InAs(111) surface and Bi adatoms for T-4-H-3. Charge density difference results indicate significant amount of the charge accumulation on the Bi/InAs interface.
Açıklama
Anahtar Kelimeler
Kaynak
JOURNAL OF APPLIED PHYSICS
WoS Q Değeri
N/A
Scopus Q Değeri
Q1
Cilt
115
Sayı
16
