Atomic and electronic structure of Bi/GaAs(001)-alpha 2(2x4)

Usanmaz, D.; ÇAKMAK, MELEK; ELLİALTIOĞLU, SÜLEYMAN

doi:10.1088/0953-8984/20/26/265003

Atomic and electronic structure of Bi/GaAs(001)-alpha 2(2x4)

Atıf İçin Kopyala

Usanmaz D., ÇAKMAK M., ELLİALTIOĞLU S. Ş.

JOURNAL OF PHYSICS-CONDENSED MATTER, cilt.20, sa.26, 2008 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 20 Sayı: 26
Basım Tarihi: 2008
Doi Numarası: 10.1088/0953-8984/20/26/265003
Dergi Adı: JOURNAL OF PHYSICS-CONDENSED MATTER
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

We report an ab initio pseudopotential calculation for the atomic and electronic structure of Bi/GaAs(001)-alpha 2(2 x 4). Three structural models with Bi coverages of Theta = 1/4 are considered, containing one Bi dimer or two Bi-As mixed dimers. According to our calculations for this coverage, the atomic model of the Bi/GaAs(001)-(2 x 4) reconstruction is similar to the alpha 2 structure of the clean GaAs(001)-(2 x 4) surface in which the top As dimer is replaced by a Bi dimer. This result is in agreement with the most recent scanning tunneling microscopy work.