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

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Citation (Scopus)

Abstract

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.

Original languageEnglish
Title of host publicationFunctional Properties of Modern Materials II
EditorsBudhy Kurniawan, Agustinus Agung Nugroho, Darminto, Isao Watanabe, Risdiana
PublisherTrans Tech Publications Ltd
Pages257-262
Number of pages6
ISBN (Print)9783035714968
DOIs
Publication statusPublished - 1 Jan 2019
Event4th International Conference on Functional Materials Science, ICFMS 2018 - Bali, Indonesia
Duration: 13 Nov 201815 Nov 2018

Publication series

NameMaterials Science Forum
Volume966 MSF
ISSN (Print)0255-5476

Conference

Conference4th International Conference on Functional Materials Science, ICFMS 2018
CountryIndonesia
CityBali
Period13/11/1815/11/18

Keywords

  • Density functional theory
  • Mott insulator
  • Muon site
  • YBCO

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