Effects of the supercell’s size on muon positions calculations of la2cuo4

Muhammad Redo Ramadhan, Irwan Ramli, Muhammad Darwis Umar, Suci Winarsih, Dita Puspita Sari, Azwar Manaf, Budhy Kurniawan, Mohamed Ismail Mohamed-Ibrahim, Shukri Sulaiman, Isao Watanabe

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The outcome of density functional theory (DFT) technique within the supercell’s framework of La2CuO4 (LCO) are reported. We evaluated local dipolar fields of muon’s position inside LCO assuming dipolar interaction occurred by varying the supercell’s size. We found out that the field on proposed muon’s trapping positions was known to be not affected so much by the supercell’s size and still fairly larger than the experimental data. Our results suggest that the inclusion of quantum effects of implanted muon and electronic spin are required to explain experimental data.

Original languageEnglish
Title of host publicationFunctional Properties of Modern Materials II
Editors Darminto, Budhy Kurniawan, Risdiana, Isao Watanabe, Agustinus Agung Nugroho
PublisherTrans Tech Publications Ltd
Pages465-470
Number of pages6
ISBN (Print)9783035714968
DOIs
Publication statusPublished - 2019
Event4th International Conference on Functional Materials Science, ICFMS 2018 - Bali, Indonesia
Duration: 2018 Nov 132018 Nov 15

Publication series

NameMaterials Science Forum
Volume966 MSF
ISSN (Print)0255-5476
ISSN (Electronic)1662-9752

Conference

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

Keywords

  • Density functional theory
  • LaCuO
  • Muon’s positions
  • Supercell

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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  • Cite this

    Ramadhan, M. R., Ramli, I., Umar, M. D., Winarsih, S., Sari, D. P., Manaf, A., Kurniawan, B., Mohamed-Ibrahim, M. I., Sulaiman, S., & Watanabe, I. (2019). Effects of the supercell’s size on muon positions calculations of la2cuo4. In Darminto, B. Kurniawan, Risdiana, I. Watanabe, & A. A. Nugroho (Eds.), Functional Properties of Modern Materials II (pp. 465-470). (Materials Science Forum; Vol. 966 MSF). Trans Tech Publications Ltd. https://doi.org/10.4028/www.scientific.net/MSF.966.465