Magnon-phonon interactions from first principles
Source abstract
Abstract
Modeling spin-wave (magnon) dynamics in novel materials is important to advance spintronics and spin-based quantum technologies. The interactions between magnons and lattice vibrations (phonons) limit the length scale for magnon transport. However, quantifying these interactions remains challenging. Here, we show many-body calculations of magnon-phonon (mag-ph) coupling based on the Bethe-Salpeter equation. We derive expressions for mag-ph coupling matrices and compute them in two-dimensional ferromagnets, focusing on hydrogenated graphene and monolayer {CrI}3 . Our analysis shows that electron-phonon (e−ph) and mag-ph interactions differ significantly, where modes with weak e−ph coupling can exhibit strong mag-ph coupling (and vice versa), and reveals which phonon modes couple more strongly with magnons. In both materials studied here, the inelastic magnon relaxation times decrease abruptly above the threshold for emission of strongly coupled phonons, revealing a low-energy window where magnons are long lived. Averaging over this window, we compute the temperature-dependent magnon mean free path, a key figure of merit for spintronics, entirely from first principles. The theory and computational tools shown in this Letter enable studies of magnon interactions, scattering, and dynamics in generic materials, advancing the design of magnetic systems and magnon- and spin-based devices.
Source: crossref · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Graphene research and applications · 2D Materials and Applications · Magnetic properties of thin films
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
California Institute of Technology
University of Valencia
Institute for Materials Research
Beijing Institute of Technology
Istituto di Struttura della Materia-CNR
Funding
National Science Foundation · Air Force Office of Scientific Research · Horizon 2020 · Ministerio de Ciencia e Innovación · Generalitat Valenciana · Ministerio de Economía y Competitividad · European High Performance Computing Joint Undertaking
References (70)
Show source-provided references
1. 10.1038/nmat501710.1038/nmat5017 ↗
2. 10.1038/nature2598710.1038/nature25987 ↗
3. 10.1021/acs.nanolett.6b0305210.1021/acs.nanolett.6b03052 ↗
4. 10.1038/nature2206010.1038/nature22060 ↗
5. 10.1038/nature2239110.1038/nature22391 ↗
6. 10.1021/acs.nanolett.1c0021910.1021/acs.nanolett.1c00219 ↗
7. 10.1021/acsaelm.2c0041910.1021/acsaelm.2c00419 ↗
8. 10.1088/2053-1583/ad64e210.1088/2053-1583/ad64e2 ↗
9. 10.1103/PhysRevLett.109.09660310.1103/PhysRevLett.109.096603 ↗
10. 10.1103/PhysRevLett.108.24660110.1103/PhysRevLett.108.246601 ↗
11. 10.1016/j.physrep.2022.03.00210.1016/j.physrep.2022.03.002 ↗
12. 10.1146/annurev-conmatphys-070909-10412310.1146/annurev-conmatphys-070909-104123 ↗
13. 10.1088/0022-3727/43/26/26030110.1088/0022-3727/43/26/260301 ↗
14. 10.1038/nphys334710.1038/nphys3347 ↗
15. 10.1088/1361-648X/ad399c10.1088/1361-648X/ad399c ↗
16. 10.1103/PhysRevB.68.06010210.1103/PhysRevB.68.060102 ↗
17. 10.1103/PhysRevB.100.04513010.1103/PhysRevB.100.045130 ↗
18. 10.1103/PhysRevB.101.17442710.1103/PhysRevB.101.174427 ↗
19. 10.1038/s41524-021-00649-810.1038/s41524-021-00649-8 ↗
20. 10.1103/PhysRevB.105.14442010.1103/PhysRevB.105.144420 ↗
21. 10.1126/sciadv.aar516410.1126/sciadv.aar5164 ↗
22. 10.1038/s42005-022-00888-110.1038/s42005-022-00888-1 ↗
23. 10.1103/PhysRevB.102.14443810.1103/PhysRevB.102.144438 ↗
24. 10.1038/s44306-024-00052-110.1038/s44306-024-00052-1 ↗
25. 10.1038/s41467-019-10545-x10.1038/s41467-019-10545-x ↗
26. 10.1039/c3ee43299h10.1039/c3ee43299h ↗
27. 10.1103/PhysRevLett.117.20720310.1103/PhysRevLett.117.207203 ↗
28. 10.1016/0022-3697(58)90076-310.1016/0022-3697(58)90076-3 ↗
29. 10.1103/PhysRev.120.9110.1103/PhysRev.120.91 ↗
30. 10.1088/0953-8984/27/16/16600210.1088/0953-8984/27/16/166002 ↗
31. 10.1103/PhysRevB.107.21445210.1103/PhysRevB.107.214452 ↗
32. 10.1103/PhysRevB.107.L22041010.1103/PhysRevB.107.L220410 ↗
33. 10.1039/C2DT31662E10.1039/C2DT31662E ↗
34. 10.1016/0304-8853(87)90721-910.1016/0304-8853(87)90721-9 ↗
35. 10.1016/j.cpc.2021.10793810.1016/j.cpc.2021.107938 ↗
36. 10.1103/PhysRevB.101.16513710.1103/PhysRevB.101.165137 ↗
37. 10.1103/PhysRevB.106.21442410.1103/PhysRevB.106.214424 ↗
38. 10.1038/s41467-023-39123-y10.1038/s41467-023-39123-y ↗
39. 10.1038/s41467-024-49716-w10.1038/s41467-024-49716-w ↗
40. 10.1103/PhysRevB.95.14442010.1103/PhysRevB.95.144420 ↗
41. 10.1103/RevModPhys.74.60110.1103/RevModPhys.74.601 ↗
42. 10.1103/PhysRevB.62.492710.1103/PhysRevB.62.4927 ↗
43. 10.1021/nl503799t10.1021/nl503799t ↗
44. 10.1103/PhysRevLett.125.10740110.1103/PhysRevLett.125.107401 ↗
45. 10.1103/PhysRevResearch.4.04320310.1103/PhysRevResearch.4.043203 ↗
46. 10.1103/PhysRevB.105.08511110.1103/PhysRevB.105.085111 ↗
47. 10.1021/acs.nanolett.3c0073210.1021/acs.nanolett.3c00732 ↗
48. 10.1103/PhysRevLett.127.16640210.1103/PhysRevLett.127.166402 ↗
49. 10.1103/PhysRevB.103.15515210.1103/PhysRevB.103.155152 ↗
50. 10.1103/PhysRevB.88.15511310.1103/PhysRevB.88.155113 ↗
51. 10.1103/gbpw-zh1v10.1103/gbpw-zh1v ↗
52. 10.1088/0953-8984/21/39/39550210.1088/0953-8984/21/39/395502 ↗
53. 10.1088/1361-648X/ab15d010.1088/1361-648X/ab15d0 ↗
54. 10.1039/D0TC01322F10.1039/D0TC01322F ↗
55. Our DFT calculations use the local spin-density approximation (LSDA) and a plane-wave basis set. We employ fully relativistic pseudopotentials [68] generated with the oncvpsp code [69]. The Brillouin zone sampling of electron k points, phonon q points, and magnon Q points are all performed on an 18×18×1 grid for semihydrogenated graphene, with a 70 Ry kinetic energy cutoff, and on a 12×12×1 with 90 Ry cutoff for monolayer CrI3. A truncation of the Coulomb interaction along the z axis is applied to simulate the phonon dispersion of an isolated layer. For mag-ph relaxation time calculations, the mag-ph coupling is obtained on dense momentum grids using linear interpolation.
56. 10.1103/PhysRevX.8.04102810.1103/PhysRevX.8.041028 ↗
57. See Supplemental Material at http://link.aps.org/supplemental/10.1103/489b-n5pd for derivations of magnon-phonon coupling and relaxation times, validation of our perturbative approach, and derivation and BSE calculations of magnon-phonon mixing, which includes Ref. [70].
58. 10.1140/epjb/e2016-70399-410.1140/epjb/e2016-70399-4 ↗
59. 10.1016/j.cpc.2021.10797010.1016/j.cpc.2021.107970 ↗
60. 10.1103/RevModPhys.73.51510.1103/RevModPhys.73.515 ↗
61. 10.1103/PhysRevLett.129.19720110.1103/PhysRevLett.129.197201 ↗
62. 10.1103/PhysRevX.14.01104110.1103/PhysRevX.14.011041 ↗
63. 10.1103/PhysRevLett.100.07680110.1103/PhysRevLett.100.076801 ↗
64. 10.1103/PhysRevB.82.11542710.1103/PhysRevB.82.115427 ↗
65. 10.1103/PhysRevB.90.06442110.1103/PhysRevB.90.064421 ↗
66. 10.1103/PhysRevB.111.10443110.1103/PhysRevB.111.104431 ↗
67. 10.24435/materialscloud:rg-mb10.24435/materialscloud:rg-mb ↗
68. 10.1103/PhysRevB.23.504810.1103/PhysRevB.23.5048 ↗
69. 10.1103/PhysRevB.88.08511710.1103/PhysRevB.88.085117 ↗
70. G. D. Mahan · 200010.1007/978-1-4757-5714-9 ↗