Magnetic properties of yba2cu3o6 studied by density functional theory calculation

Irwan Ramli, S. S. Mohd-Tajudin, M. R. Ramadhan, D. P. Sari, S. Sulaiman, M. I. Mohamed-Ibrahim, B. Kurniawan, I. Watanabe

研究成果: Conference contribution

2 被引用数 (Scopus)

抄録

We present the results of investigations on the muon sites in YBa2Cu3O6 (YBCO6) by using the density functional theory (DFT) calculation technique in order to achieve a deeper understanding of its magnetic properties. We included the Hubbard parameter, U, among electrons in our DFT calculations in order to simulate realistic electronic and magnetic state in YBCO6. We found that the U value does not affect the muon sites in YBCO6 but the related internal field has strong dependence on U value. In this study, we tried to optimize the value of U comparing with the experimental result.

本文言語English
ホスト出版物のタイトルFunctional Properties of Modern Materials II
編集者 Darminto, Budhy Kurniawan, Risdiana, Isao Watanabe, Agustinus Agung Nugroho
出版社Trans Tech Publications Ltd
ページ257-262
ページ数6
ISBN(印刷版)9783035714968
DOI
出版ステータスPublished - 2019
イベント4th International Conference on Functional Materials Science, ICFMS 2018 - Bali, Indonesia
継続期間: 2018 11 132018 11 15

出版物シリーズ

名前Materials Science Forum
966 MSF
ISSN(印刷版)0255-5476
ISSN(電子版)1662-9752

Conference

Conference4th International Conference on Functional Materials Science, ICFMS 2018
国/地域Indonesia
CityBali
Period18/11/1318/11/15

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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