Effects of the Supercell's Size on Muon Positions Calculations of La2CuO4

Author:

Ramadhan Muhammad Redo1,Ramli Irwan1,Umar Muhamad Darwis1,Winarsih Suci2,Sari Dita Puspita3,Manaf Azwar4,Kurniawan Budhy4,Mohamed-Ibrahim Mohamed Ismail5,Sulaiman Shukri6,Watanabe Isao7

Affiliation:

1. RIKEN Nishina Center

2. RIKEN Nishina Centre

3. Shibaura Institute of Technology

4. University of Indonesia

5. Universiti Sains Malaysia

6. University Sains Malaysia

7. Nishina Center, RIKEN

Abstract

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

Publisher

Trans Tech Publications, Ltd.

Subject

Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science

Reference21 articles.

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2. V. I. Anisimov and O. Gunnarsson, Density-functional calculation of effective Coulomb interaction in metals, Phys. Rev. B 43 (1991) 7570.

3. S. Pesant and M. Côté, DFT + U study of magnetic order in doped La2CuO4 crystals, Phys. Rev. B 84 (2011) 085104.

4. J. I. Budnick, A. Golnik, Ch. Niedermayer, E. Recknagel, M. Rossmanith, A. Weidinger, B. Chamberland, M. Filipkowski, D. P. Yang, Observation of magnetic ordering in La2CuO4 by muon spin spectroscopy, Phys. Lett. A 124 (1987) 103-106.

5. Y. J. Uemura, Muon spin relaxation studies on high-Tc superconductors and related antiferromagnet (invited), J. App. Phys 64 (1988) 6087.

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