Title :
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
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;
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
DOI :
10.1109/IWCE.2009.5091154
