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PreprintCC BY 4.0arXiv

Anatomy of Spin--Orbit Torques in Monolayer Fe3GeTe2 and Fe3GaTe2: Insights from atomistic and momentum-space decompositions

  • Gusthavo M. S. Brizolla
  • Stepan S. Tsirkin
  • Yaroslav Zhumagulov
  • Jaroslav Fabian
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Abstract

We present a systematic first-principles study of the spin-orbit torques in the ferromagnetic monolayers Fe3GeTe2 (FGT) and Fe3GaTe2 (FGaT). Despite sharing the same crystal structure (point group D3h) and predominantly Fe~3d spin-polarized bands, the two materials exhibit markedly different current-induced torques. We reveal these differences by computing the full angular dependence of the torkance---the torque per unit applied electric field---using linear-response theory with symmetry-adapted spin--orbit-coupled Wannier functions. FGaT may be viewed as a hole-doped analogue of FGT, since Ga contributes one valence electron fewer than Ge. Although the work functions differ by only about $28$~meV, the band filling near K and K' changes substantially: the density of states at εF is reduced by a factor of three and its spin polarization reverses from minority in FGT to majority in FGaT. These electronic changes are reflected in the torques resolved by time-reversal parity, sublattice, and momentum. In particular, we identify pronounced hidden torques in FGaT and relate the suppression of its fourth-harmonic Fermi-sea component to the evolution of momentum-space pockets. Finally, we discuss the emergence of such self-torques, which are not captured by the conventional picture of current-induced spin accumulation, within a symmetry-based phenomenological framework. Our results provide microscopic insight into current-induced torques in two-dimensional ferromagnets and offer guidance for defect and van der Waals engineering of layered magnetic materials.

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Cite

BibTeXRIS
BibTeX
@misc{brizolla2026anatomy,
  title = {{Anatomy of Spin--Orbit Torques in Monolayer Fe$_3$GeTe$_2$ and Fe$_3$GaTe$_2$: Insights from atomistic and momentum-space decompositions}},
  author = {Gusthavo M. S. Brizolla and Stepan S. Tsirkin and Yaroslav Zhumagulov and Jaroslav Fabian},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2608.05788},
  eprint = {2608.05788},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2608.05788},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - Anatomy of Spin--Orbit Torques in Monolayer Fe_3GeTe_2 and Fe_3GaTe_2: Insights from atomistic and momentum-space decompositions
AU  - Gusthavo M. S. Brizolla
AU  - Stepan S. Tsirkin
AU  - Yaroslav Zhumagulov
AU  - Jaroslav Fabian
PY  - 2026
DA  - 2026/10/08
PB  - arXiv
DO  - 10.48550/arxiv.2608.05788
UR  - https://arxiv.org/abs/2608.05788
AB  - We present a systematic first-principles study of the spin-orbit torques in the ferromagnetic monolayers Fe_3GeTe_2 (FGT) and Fe_3GaTe_2 (FGaT). Despite sharing the same crystal structure (point group D_3h) and predominantly Fe~3d spin-polarized bands, the two materials exhibit markedly different current-induced torques. We reveal these differences by computing the full angular dependence of the torkance---the torque per unit applied electric field---using linear-response theory with symmetry-adapted spin--orbit-coupled Wannier functions. FGaT may be viewed as a hole-doped analogue of FGT, since Ga contributes one valence electron fewer than Ge. Although the work functions differ by only about $28$~meV, the band filling near K and K' changes substantially: the density of states at ε_F is reduced by a factor of three and its spin polarization reverses from minority in FGT to majority in FGaT. These electronic changes are reflected in the torques resolved by time-reversal parity, sublattice, and momentum. In particular, we identify pronounced hidden torques in FGaT and relate the suppression of its fourth-harmonic Fermi-sea component to the evolution of momentum-space pockets. Finally, we discuss the emergence of such self-torques, which are not captured by the conventional picture of current-induced spin accumulation, within a symmetry-based phenomenological framework. Our results provide microscopic insight into current-induced torques in two-dimensional ferromagnets and offer guidance for defect and van der Waals engineering of layered magnetic materials.
ER  -