Spin Alignment Studies on the Muon-Site Determination in La2CuO4

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 valu...

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Bibliographic Details
Published in:Key engineering materials 2020-08, Vol.860, p.154-159
Main Authors: Manaf, Azwar, Ramli, Irwan, Mohamed-Ibrahim, Mohamed Ismail, Shukri, Sulaiman, Sari, Dita Puspita, Ramadhan, Muhammad Redo, Kurniawan, Budhy, Watanabe, Isao
Format: Article
Language:English
Subjects:
Alignment
Antiferromagnetism
Configuration management
Density functional theory
Dipoles
Energy distribution
Mathematical analysis
Muons
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Summary: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.
ISSN:1013-9826
1662-9795
1662-9795
DOI:10.4028/www.scientific.net/KEM.860.154