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Ce诱导Si(111)表面重构和相变机制的研究

Cerium-Induced Surface Reconstructions and Phase Transition on Si(111)

  • 摘要: 利用扫描隧道显微镜,研究了在Si(111)表面沉积Ce原子后在不同温度下退火得到的多种重构。在Ce覆盖度为1/3 ML和样品退火温度500℃下,得到\sqrt 3 ×\sqrt 3 -R30°结构。提高样品退火温度至850℃,得到2×3重构。随着样品退火温度升至950℃,样品表面出现2×3、17×6、11×6和5×2等多种重构共存。进一步提高样品退火温度至1150℃,得到单一的5×2相。根据电子计数规则理论,提出了由蜂窝链和Seiwatz链构成的2×3、5×2和(2n+1)×6中间相的结构模型。其中,5×2重构中蜂窝链的Si原子占比最大,Ce原子覆盖度最低,结构最稳定。不同相的转变是由于Seiwatz链和蜂窝链的形成导致了体系能量的降低。本文研究对理解稀土金属诱导Si(111)表面重构的物理机制和转变过程具有重要意义。

     

    Abstract: Various Cerium-induced reconstructions on Si(111)and their phase transitions were investigated by scanning tunneling microscopy. A \sqrt 3 ×\sqrt 3 -R30° reconstruction was observed on the sample at the Ce cover-age of 1/3 ML and with sample annealing at 500℃. This surface structure evolved into a 2×3 reconstruction aftersample annealing at 850℃. With the annealing temperature rising to 950℃,we observed the coexistence of severalreconstructions,including 2×3,17×6,11×6 and 5×2. The pure 5×2 phase was obtained by further increasing theannealing temperature to 1150℃. The structural models of the 2×3,5×2 and(2 n+1)×6 phases composed of honey-comb chains and Seiwatz chains were proposed according to the electron counting rule. The atomic proportion of Siatoms consisting of the honeycomb chains in the 5×2 reconstruction is the largest among the observed reconstruc-tions. As the honeycomb chains are more stable than the Seiwatz chains,the 5×2 reconstruction is the energetically most favorable structure. The phase transition from the \sqrt 3 ×\sqrt 3 -R30° reconstruction to the 2×3 reconstruction isdriven by the formation of the Seiwatz chains,while the structural evolution to the 5×2 reconstruction is driven bythe formation of the honeycomb chains. Our study is of great significance for understanding the physical mechanismand phase transition of rare earth metals-induced reconstructions on the Si(111)surfaces.

     

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