Electron Density Distribution in Amorphous Se Determined by Reverse Monte Carlo Simulation Coupled with Anomalous X-ray Scattering Data

• Saito Masatoshi

  School of Health Sciences, Faculty of Medicine, Niigata University

• Waseda Yoshio

  Institute of Multi-disciplinary Research for Advanced Materials, Tohoku University

抄録

The ion-electron structure factor estimated from the anomalous X-ray scattering measurements near the Se K absorption edge has been used in the reverse Monte Carlo (RMC) simulation for determining the valence electron density distribution in amorphous Se. The results clearly indicate that the origin of particular valence electron distribution for Se can be explained by two non-bonding electrons and two bonding electrons.

収録刊行物

• MATERIALS TRANSACTIONS

  MATERIALS TRANSACTIONS 42 (10), 2071-2074, 2001

  公益社団法人 日本金属学会

キーワード

• electron density distribution
• reverse Monte Carlo simulation
• anomalous X-ray scattering
• ion-electron structure factor
• amorphous selenium

詳細情報

• CRID: 1390282679223586688
• NII論文ID: 130004451339
• NII論文ID: 10007261155
• NII書誌ID: AA1151294X
• DOI: 10.2320/matertrans.42.2071
• COI: 1:CAS:528:DC%2BD3MXptFGjur4%3D
• ISSN: 13475320
• ISSN: 13459678
• NDL書誌ID: 5954238
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I5954238
• Web Site: https://www.jstage.jst.go.jp/article/matertrans/42/10/42_10_2071/_pdf
• 本文言語コード: en
• データソース種別:
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  • NDL
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• 抄録ライセンスフラグ: 使用不可