Development of high-throughput electron simulator for nano crystals

2015 Fiscal Year Final Research Report

• Project/Area Number: 25410159
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Analytical chemistry
• Research Institution: National Institute for Materials Science
• Principal Investigator: Yoshikawa Hideki 国立研究開発法人物質・材料研究機構, 極限計測ユニット, 主席研究員 (20354409)
• Project Period (FY): 2013-04-01 – 2016-03-31
• Keywords: 計算物理 / 分析化学 / 放射線，Ｘ線，粒子線 / 表面，界面物性

Outline of Final Research Achievements

We have developed a new Monte Carlo (MC) simulation code for the quantification of X-ray photoelectron spectroscopy for nano crystals. The time-inverse algorithm of electron creation and transportation was applied to this MC simulation for the purpose of high-throughput calculation to realize good S/N ratio data. This algorithm has already been applied to a homogeneous system previously. It is the first time to apply it to an inhomogeneous system. We successfully developed the new MC code and calculated mean escape depths (MEDs) of 100 eV- 10 keV photoelectrons for Li, C, Si, Cu, Ag, and Au, which have good S/N ratio. The MEDs are useful to estimate coherent lengths of photoelectrons in nano crystals. The data format is also considered to make a database of calculated data.

Free Research Field

表面化学分析