Spin Alignment Studies on the Muon-Site Determination in La2CuO4

Author:

Ramadhan Muhammad Redo1,Ramli Irwan1,Sari Dita Puspita2,Kurniawan Budhy3,Manaf Azwar3,Mohamed-Ibrahim Mohamed Ismail4,Sulaiman Shukri4,Watanabe Isao1

Affiliation:

1. RIKEN Nishina Center

2. Shibaura Institute of Technology

3. University of Indonesia

4. Universiti Sains Malaysia

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.

Publisher

Trans Tech Publications, Ltd.

Subject

Mechanical Engineering,Mechanics of Materials,General Materials Science

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