Identification of ground-state spin ordering in antiferromagnetic transition metal oxides using the Ising model and a genetic algorithm
Source abstract
Abstract
We identify ground-state collinear spin ordering in various antiferromagnetic transition metal oxides by constructing the Ising model from first-principles results and applying a genetic algorithm to find its minimum energy state. The present method can correctly reproduce the ground state of well-known antiferromagnetic oxides such as NiO, Fe2O3, Cr2O3 and MnO2. Furthermore, we identify the ground-state spin ordering in more complicated materials such as Mn3O4 and CoCr2O4.
Source: europepmc · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Magnetic and transport properties of perovskites and related materials · Advanced Condensed Matter Physics · Theoretical and Computational Physics
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Materials Science and Engineering and Research Institute of Advanced Materials, Seoul National University, Seoul, Republic of Korea
Funding
Korea Institute of Science and Technology Information · National Research Foundation of Korea
References (35)
Show source-provided references
1. 10.1146/annurev.pc.40.100189.00145110.1146/annurev.pc.40.100189.001451 ↗
2. 10.1038/3503504510.1038/35035045 ↗
3. 10.1039/c2jm14305d10.1039/c2jm14305d ↗
4. 10.1021/nn200493r10.1021/nn200493r ↗
5. 10.1021/ja105296a10.1021/ja105296a ↗
6. 10.1002/anie.20100311010.1002/anie.201003110 ↗
7. 10.1002/cssc.20100041610.1002/cssc.201000416 ↗
8. 10.1021/ja211526y10.1021/ja211526y ↗
9. 10.1002/cctc.20100037810.1002/cctc.201000378 ↗
10. 10.1038/nchem.106910.1038/nchem.1069 ↗
11. 10.1021/jp500939d10.1021/jp500939d ↗
12. 10.1088/1468-6996/16/1/01480110.1088/1468-6996/16/1/014801 ↗
13. 10.1088/1468-6996/16/3/03600210.1088/1468-6996/16/3/036002 ↗
14. 10.1063/1.233903210.1063/1.2339032 ↗
15. 10.1021/nl803387q10.1021/nl803387q ↗
16. 10.1016/S1369-7021(08)70119-610.1016/S1369-7021(08)70119-6 ↗
17. 10.1103/PhysRev.110.133310.1103/PhysRev.110.1333 ↗
18. 10.1021/cm800009s10.1021/cm800009s ↗
19. 10.1103/PhysRevLett.85.394610.1103/PhysRevLett.85.3946 ↗
20. 10.1016/S0925-8388(03)00591-710.1016/S0925-8388(03)00591-7 ↗
21. 10.1103/PhysRevB.70.21443410.1103/PhysRevB.70.214434 ↗
22. 10.1103/PhysRevB.77.13410310.1103/PhysRevB.77.134103 ↗
23. 10.1103/PhysRevB.69.16510710.1103/PhysRevB.69.165107 ↗
24. Ahn H · J Korean Phys Soc · 2006 · 49 · 1536
25. 10.7566/JPSJ.84.11470210.7566/JPSJ.84.114702 ↗
26. 10.1103/PhysRevB.54.1116910.1103/PhysRevB.54.11169 ↗
27. 10.1103/PhysRevB.50.1795310.1103/PhysRevB.50.17953 ↗
28. 10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
29. 10.1103/PhysRevB.73.19510710.1103/PhysRevB.73.195107 ↗
30. Karlsruhe FIZ. Inorganic crytal structure database. Available from http://icsd.fiz-karlsruhe.de
31. 10.1088/0953-8984/14/8/32310.1088/0953-8984/14/8/323 ↗
32. 10.1143/JPSJ.14.80710.1143/JPSJ.14.807 ↗
33. 10.1103/PhysRevB.75.19512810.1103/PhysRevB.75.195128 ↗
34. 10.1016/j.commatsci.2012.02.00510.1016/j.commatsci.2012.02.005 ↗
35. 10.1063/1.481232310.1063/1.4812323 ↗