Stable Position of B12 Cluster Near Si (001) Surface and Its STM Images

Author

Ito, Shunsuke ; Maruizumi, Takuya ; Suwa, Yuji

Author_Institution

Dept. of Electr. & Electron. Eng., Tokyo City Univ., Tokyo

fYear

2009

fDate

27-29 May 2009

Firstpage

1

Lastpage

4

Abstract

We conducted a first-principles examination to determine the most stable position of an icosahedral B₁₂ cluster near a Si (001) surface. We discovered that such a cluster is most stable when its center is located at the fourth layer position from the Si top surface where a Si dimer sits directly overhead. Scanning tunneling microscopy (STM) simulation revealed that Si dimers above the B₁₂ cluster are distinguishable from other dimers in empty-state STM images.

Keywords

atomic clusters; boron; density functional theory; electronic density of states; elemental semiconductors; scanning tunnelling microscopy; silicon; surface structure; B₁₂-Si; STM image; Si; Si (001) surface structure; density functional theory; first-principles examination; icosahedral B₁₂ cluster; local density of states; scanning tunneling microscopy simulation; surface electronic states; Atomic layer deposition; Atomic measurements; Boron; Electrons; Indium tin oxide; Microscopy; Silicon; Slabs; Stability; Tunneling;

fLanguage

English

Publisher

ieee

Conference_Titel

Computational Electronics, 2009. IWCE '09. 13th International Workshop on

Conference_Location

Beijing

Print_ISBN

978-1-4244-3925-6

Electronic_ISBN

978-1-4244-3927-0

Type

conf

DOI

10.1109/IWCE.2009.5091154

Filename

5091154