[10a-E215-1~10] CS.10 Code-sharing session of 6.5&7.5

10:30 AM - 10:45 AM JST(1:30 AM - 1:45 AM UTC)

[10a-E215-6] Determination of the Si(110)3x2β-Sb structure by W-RHEED analysis assisted by DFT calculations.

〇Hakugan Ri¹, Abukawa Tadashi^1,2 (1.IMRAM, Tohoku Univ., 2.SRIS, ,Tohoku Univ.)

Keywords:

Surface,DFT calculation,RHEED

In this study, we determined the atomic structure of Si(110)3×2β3×2β3×2β-Sb by using a three-step procedure: first obtaining a rough model from Patterson-function analysis, then relaxing the atomic positions by DFT calculations, and finally comparing the simulated Patterson function with the experimental results. This approach further improved the model-free W-RHEED analysis method.