High-throughput calculations of antiferromagnets hosting anomalous transport phenomena
Source abstract
Abstract
We develop a high-throughput computational scheme based on cluster multipole theory to identify new functional antiferromagnets (AFMs). This approach is applied to 228 magnetic compounds listed in the AtomWork-Adv database, known for their elevated N\'eel temperatures. We conduct systematic investigations of both stable and metastable magnetic configurations of these materials. Our findings reveal that 34 of these compounds exhibit AFM structures with zero propagation vectors and magnetic symmetries identical to conventional ferromagnets, rendering them potentially invaluable for spintronics applications. By cross-referencing our predictions with the existing MAGNDATA database and published literature, we verify the reliability of our findings for 26 out of 28 compounds with partially or fully elucidated magnetic structures in the experiments. These results not only affirm the reliability of our scheme but also point to its potential for broader applicability in the ongoing quest for the discovery of functional magnets.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Physics of Superconductivity and Magnetism · Magnetic properties of thin films · Magnetic and transport properties of perovskites and related materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Research Center for Advanced Science and Technology, University of Tokyo, Komaba 153-8904, Japan
Department of Mechanical Engineering and Science, Kyoto University, Kyoto 615-8540, Japan
Liberal Arts and Sciences, Toyama Prefectural University, Toyama 939-0398, Japan
Center for Computational Materials Science, Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan
Center for Spintronics Research Network, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan
Department of Physics, Tohoku University, Sendai 980-8578, Japan
Center for Emergent Matter Science, RIKEN, Wako 351-0198, Japan
Funding
Japan Society for the Promotion of Science · Japan Science and Technology Corporation
References (100+)
Show source-provided references
1. 10.1038/nnano.2016.1810.1038/nnano.2016.18 ↗
2. 10.1103/RevModPhys.90.01500510.1103/RevModPhys.90.015005 ↗
3. 10.1063/5.002361410.1063/5.0023614 ↗
4. 10.1016/j.fmre.2022.03.01610.1016/j.fmre.2022.03.016 ↗
5. 10.1103/PhysRevB.98.22041210.1103/PhysRevB.98.220412 ↗
6. 10.1038/s41467-018-07092-210.1038/s41467-018-07092-2 ↗
7. 10.1038/s41578-022-00430-310.1038/s41578-022-00430-3 ↗
8. 10.1038/s41467-019-12229-y10.1038/s41467-019-12229-y ↗
9. 10.1126/sciadv.aaz880910.1126/sciadv.aaz8809 ↗
10. 10.1103/PhysRevX.12.03104210.1103/PhysRevX.12.031042 ↗
11. 10.1103/PhysRevX.12.04050110.1103/PhysRevX.12.040501 ↗
12. 10.1038/nature1572310.1038/nature15723 ↗
13. 10.1126/sciadv.150187010.1126/sciadv.1501870 ↗
14. 10.1103/PhysRevLett.119.08720210.1103/PhysRevLett.119.087202 ↗
15. 10.1038/s41566-017-0086-z10.1038/s41566-017-0086-z ↗
16. 10.1038/s41586-020-2211-210.1038/s41586-020-2211-2 ↗
17. 10.1038/s41586-022-04864-110.1038/s41586-022-04864-1 ↗
18. 10.1038/s41586-022-05461-y10.1038/s41586-022-05461-y ↗
19. 10.1038/s41586-022-05463-w10.1038/s41586-022-05463-w ↗
20. 10.1038/s41563-023-01620-210.1038/s41563-023-01620-2 ↗
21. 10.1103/PhysRevMaterials.1.03440410.1103/PhysRevMaterials.1.034404 ↗
22. 10.1038/s41524-019-0199-710.1038/s41524-019-0199-7 ↗
23. 10.1021/jacs.3c0028410.1021/jacs.3c00284 ↗
24. 10.1103/PhysRevB.95.09440610.1103/PhysRevB.95.094406 ↗
25. 10.1103/PhysRevB.99.17440710.1103/PhysRevB.99.174407 ↗
26. 10.1103/PhysRevX.11.01103110.1103/PhysRevX.11.011031 ↗
27. 10.1103/PhysRevB.107.01440710.1103/PhysRevB.107.014407 ↗
28. 10.1143/JJAP.50.11RH0210.1143/JJAP.50.11RH02 ↗
29. 10.1088/0305-4608/14/7/00710.1088/0305-4608/14/7/007 ↗
30. 10.1088/0305-4608/15/6/01810.1088/0305-4608/15/6/018 ↗
31. 10.1103/PhysRevB.102.01444410.1103/PhysRevB.102.014444 ↗
32. 10.1016/0304-8853(84)90367-610.1016/0304-8853(84)90367-6 ↗
33. 10.1103/PhysRevB.106.22410410.1103/PhysRevB.106.224104 ↗
34. 10.1107/S160057671601286310.1107/S1600576716012863 ↗
35. 10.1107/S160057671601549110.1107/S1600576716015491 ↗
36. 10.1016/j.commatsci.2017.07.03010.1016/j.commatsci.2017.07.030 ↗
37. 10.1016/j.commatsci.2012.10.02810.1016/j.commatsci.2012.10.028 ↗
38. 10.1002/cpe.350510.1002/cpe.3505 ↗
39. 10.1103/PhysRevB.54.1116910.1103/PhysRevB.54.11169 ↗
40. 10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
41. 10.1103/PhysRevB.50.1795310.1103/PhysRevB.50.17953 ↗
42. 10.1103/PhysRevB.59.175810.1103/PhysRevB.59.1758 ↗
43. 10.1038/s41535-024-00626-610.1038/s41535-024-00626-6 ↗
44. 10.1103/PhysRevB.43.1176210.1103/PhysRevB.43.11762 ↗
45. 10.1016/0038-1098(84)90352-110.1016/0038-1098(84)90352-1 ↗
46. 10.1006/jssc.1999.827410.1006/jssc.1999.8274 ↗
47. 10.1016/S0925-8388(00)00668-X10.1016/S0925-8388(00)00668-X ↗
48. 10.1103/PhysRevMaterials.3.10440510.1103/PhysRevMaterials.3.104405 ↗
49. 10.1143/JPSJ.68.62010.1143/JPSJ.68.620 ↗
50. 10.1063/1.3368810.1063/1.33688 ↗
51. 10.1016/0022-5088(85)90175-410.1016/0022-5088(85)90175-4 ↗
52. 10.1016/j.jallcom.2019.15204310.1016/j.jallcom.2019.152043 ↗
53. 10.1103/PhysRevB.8.339810.1103/PhysRevB.8.3398 ↗
54. 10.1103/PhysRevB.69.10442910.1103/PhysRevB.69.104429 ↗
55. 10.1063/1.491936710.1063/1.4919367 ↗
56. 10.1016/0038-1098(68)90327-X10.1016/0038-1098(68)90327-X ↗
57. 10.1038/nature0265910.1038/nature02659 ↗
58. 10.1103/PhysRevB.72.17440310.1103/PhysRevB.72.174403 ↗
59. 10.1103/PhysRevB.98.06442410.1103/PhysRevB.98.064424 ↗
60. 10.1016/j.mtcomm.2021.10243810.1016/j.mtcomm.2021.102438 ↗
61. 10.1103/PhysRevB.89.01442010.1103/PhysRevB.89.014420 ↗
62. 10.1007/s10751-019-1619-210.1007/s10751-019-1619-2 ↗
63. 10.1063/1.165753010.1063/1.1657530 ↗
64. 10.1016/j.jmmm.2005.10.00910.1016/j.jmmm.2005.10.009 ↗
65. 10.1063/1.171408810.1063/1.1714088 ↗
66. 10.1103/PhysRev.186.89110.1103/PhysRev.186.891 ↗
67. 10.1006/jssc.2001.929210.1006/jssc.2001.9292 ↗
68. 10.1143/JPSJ.26.132010.1143/JPSJ.26.1320 ↗
69. 10.1006/jssc.2000.899810.1006/jssc.2000.8998 ↗
70. 10.1002/pssa.221046022210.1002/pssa.2210460222 ↗
71. 10.1103/PhysRevLett.98.26720510.1103/PhysRevLett.98.267205 ↗
72. 10.1103/PhysRevLett.113.14720210.1103/PhysRevLett.113.147202 ↗
73. 10.1088/1742-6596/200/3/03206810.1088/1742-6596/200/3/032068 ↗
74. 10.1002/pssa.221065015210.1002/pssa.2210650152 ↗
75. 10.1016/j.apsusc.2021.14990310.1016/j.apsusc.2021.149903 ↗
76. 10.1126/science.186.4162.43910.1126/science.186.4162.439 ↗
77. 10.1016/0925-8388(96)02207-410.1016/0925-8388(96)02207-4 ↗
78. 10.1051/jphyscol:197640110.1051/jphyscol:1976401 ↗
79. 10.1016/0022-4596(76)90198-510.1016/0022-4596(76)90198-5 ↗
80. 10.1016/0038-1098(69)90549-310.1016/0038-1098(69)90549-3 ↗
81. 10.1016/0038-1098(74)90547-X10.1016/0038-1098(74)90547-X ↗
82. 10.7566/JPSJ.86.08470110.7566/JPSJ.86.084701 ↗
83. 10.1143/JJAP.19.132910.1143/JJAP.19.1329 ↗
84. 10.1143/JPSJ.44.78110.1143/JPSJ.44.781 ↗
85. 10.1103/PhysRevMaterials.3.04440910.1103/PhysRevMaterials.3.044409 ↗
86. 10.1063/5.003210610.1063/5.0032106 ↗
87. 10.1103/PhysRevB.100.09442610.1103/PhysRevB.100.094426 ↗
88. 10.1103/PhysRevB.99.10442810.1103/PhysRevB.99.104428 ↗
89. 10.1002/anie.20191476010.1002/anie.201914760 ↗
90. 10.1002/chem.20080242210.1002/chem.200802422 ↗
91. 10.1039/C4NJ00097H10.1039/C4NJ00097H ↗
92. 10.1002/adma.20190432710.1002/adma.201904327 ↗
93. 10.1016/0304-8853(95)01033-510.1016/0304-8853(95)01033-5 ↗
94. 10.1103/PhysRevB.74.14410210.1103/PhysRevB.74.144102 ↗
95. 10.1103/PhysRevB.75.10441710.1103/PhysRevB.75.104417 ↗
96. 10.1021/cm800009s10.1021/cm800009s ↗
97. 10.1051/jphys:0196400250505680010.1051/jphys:01964002505056800 ↗
98. 10.1103/PhysRevB.96.21441810.1103/PhysRevB.96.214418 ↗
99. 10.1103/PhysRevLett.130.03670210.1103/PhysRevLett.130.036702 ↗
100. 10.1103/RevModPhys.25.12710.1103/RevModPhys.25.127 ↗