Spin Alignment Studies on the Muon-Site Determination in La₂CuO₄

Abstract:

Here we report spin-alignment contributions to muon coordinate calculated utilizing density functional theory (DFT) calculation. We estimated four different antiferromagnetic (AF) spin alignments in La₂CuO₄. We observed small changes by adjusting spin configurations in DFT calculations. Cu-spin value of 0.61 µB is constant in all calculations. The insulating gap of 1.9 eV is unchanged in all configurations. Muon coordinate was defined as the most minimum energy in atomic potential distribution. By assuming that Cu-spin is a point dipole for each atom, internal fields for muon were calculated and compared to known experimental results.

• Periodical: Key Engineering Materials (Volume 860)
• Pages: 154-159
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.860.154
• Online since: August 2020
• Authors: Muhammad Redo Ramadhan, Irwan Ramli, Dita Puspita Sari, Budhy Kurniawan*, Azwar Manaf, Mohamed Ismail Mohamed-Ibrahim, Sulaiman Shukri, Isao Watanabe
• Keywords: Density Functional Theory, La₂CuO₄, Muon-Site, Spin Alignment

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