Magnetic-Moment-Induced Metal–Insulator Transition in ThMnXN (X = As, P): A First Principles Study
Abstract
:1. Introduction
2. Computational Methods
3. Results and Discussion
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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ThMnAsN | ThMnPN | |||
---|---|---|---|---|
Magnetic | Energy | Mn Moment | Energy | Mn Moment |
Order | (meV/f.u.) | () | (meV/f.u.) | () |
NM | 0 | 0 | 0 | 0 |
FM | −317.8 | 2.39 | −332.8 | 2.03 |
A-AFM | −322.3 | 2.69 | −332.1 | 1.91 |
C-AFM | −781.1 | 3.52 | −701.7 | 3.34 |
G-AFM | −780.3 | 3.52 | −700.9 | 3.34 |
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Sen, S.; Ghosh, H. Magnetic-Moment-Induced Metal–Insulator Transition in ThMnXN (X = As, P): A First Principles Study. Magnetochemistry 2023, 9, 16. https://doi.org/10.3390/magnetochemistry9010016
Sen S, Ghosh H. Magnetic-Moment-Induced Metal–Insulator Transition in ThMnXN (X = As, P): A First Principles Study. Magnetochemistry. 2023; 9(1):16. https://doi.org/10.3390/magnetochemistry9010016
Chicago/Turabian StyleSen, Smritijit, and Haranath Ghosh. 2023. "Magnetic-Moment-Induced Metal–Insulator Transition in ThMnXN (X = As, P): A First Principles Study" Magnetochemistry 9, no. 1: 16. https://doi.org/10.3390/magnetochemistry9010016