Structural Features of Boron-Doped Si（113） Surfaces Simulated by ab initio Calculations

Based on ab initio calculations, boron-doped Si（113） surfaces have been simulated and atomic structures of the surfaces have been proposed. It has been determined that surface features of empty and filled states that are separately localized at pentamers and adatoms indicates a low surface density of B atoms, while it is attributed to heavy doping of B atoms at the second layer that pentamers and adatoms are both present in an image of scanning tunnelling microscopy. B doping at the second layer should be balanced by adsorbed B or Si atoms beside the adatoms and inserted B interstitials below the adatoms.     

离子注入的铝在Si(100)表面的偏析及其引起的纳米团簇和合金晶粒形成现象的实验研究

通过高温退火注入了铝的Si(100)样品,探讨偏析出来的铝在硅表面的热力学行为.由900℃的退火实验发现,偏析出来的铝原子一方面形成Si(100)基底的外延铝膜和铝岛,另一方面与硅原子结合形成尺度约为2—3nm的铝硅团簇.而1200℃的退火实验显示,铝和硅的快速冷凝形成了立方晶系的Al₄Si合金晶粒、尺度约为20—30nm.细小的铝硅团簇在结构上独立于样品基底并且趋于聚集成团,很可能是在高温退火和快速降温过程中形成铝硅合金晶粒的前驱. 关键词： 硅表面 铝掺杂 团簇 4Si')" href="#">Al₄Si