[17a-PB02-1~9] 23.1 Joint Session N "Informatics"

[17a-PB02-6] Data-analysis method for total-reflection high-energy positron diffraction (TRHEPD) experiment in the many-beam condition

〇(B)Akito Nakano¹, Izumi Mochizuki², Harumichi Iwamoto¹, Naoki Kinoshita¹, Takeo Hoshi^1,2 (1.Tottori Univ., 2.KEK-IMSS-SPF)

Keywords:total reflection high-energy positron diffraction, surface structure, optimization

We have applied our own general-purpose data analysis framework "2DMAT" to total reflection high-energy positron diffraction (TRHEPD) experiment, a new non-destructive structural analysis (atomic coordinate determination) of surface structures. In this study, a three-dimensional coordinate search (many-beam condition) was supported. The objective function is defined as the function (R-factor) consisting of the residuals at each spot on the diffraction screen. The Ge(001)-c4x2 surface structure was analyzed as a method test and the conclusions is consistent with existing experimental results.