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PreprintCC BY-NC-SA 4.0arXiv

Emergence of spin-orbit coupling among spin, atomic orbital, and Bloch dynamics in Janus double-transition-metal MXenes

  • Tetsuro Habe
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Abstract

We found a spin-orbit coupling to cause a simultaneous correlation among three degrees of freedom, the electronic spin, orbital, and Bloch dynamics in an investigation into the electronic structure of Janus double-transition-metal MXenes, Mo2HfC2OS and W2HfC2OS. In this paper, it is also revealed that the spin-orbit coupling causes a staggered spin configuration with a trigonal pattern around the Γ point near the insulating gap. We developed a reduced Hamiltonian describing the electronic states and show that the spin-orbit coupling cannot be equated with conventional forms for a single electron in solids, LS, Rashba, and Dresselhaus couplings, even in the approximation under the low-energy and small wave number condition. Because of the intrinsic shape of the conduction band, a trigonally alternating spin-momentum locking emerges with the spin axis perpendicular to the layer plane. The theoretical analysis shows that these Janus materials can provide a platform for exploring the spin-related phenomena due to the trigonal spin-momentum locking other than Rashba and Dresselhaus types.

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Cite

BibTeXRIS
BibTeX
@misc{habe2026emergence,
  title = {{Emergence of spin-orbit coupling among spin, atomic orbital, and Bloch dynamics in Janus double-transition-metal MXenes}},
  author = {Tetsuro Habe},
  howpublished = {arXiv},
  year = {2026},
  month = sep,
  doi = {10.48550/arxiv.2609.10953},
  eprint = {2609.10953},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2609.10953},
  note = {CC BY-NC-SA 4.0},
}
RIS
TY  - UNPB
TI  - Emergence of spin-orbit coupling among spin, atomic orbital, and Bloch dynamics in Janus double-transition-metal MXenes
AU  - Tetsuro Habe
PY  - 2026
DA  - 2026/09/10
PB  - arXiv
DO  - 10.48550/arxiv.2609.10953
UR  - https://arxiv.org/abs/2609.10953
AB  - We found a spin-orbit coupling to cause a simultaneous correlation among three degrees of freedom, the electronic spin, orbital, and Bloch dynamics in an investigation into the electronic structure of Janus double-transition-metal MXenes, Mo_2HfC_2OS and W_2HfC_2OS. In this paper, it is also revealed that the spin-orbit coupling causes a staggered spin configuration with a trigonal pattern around the Γ point near the insulating gap. We developed a reduced Hamiltonian describing the electronic states and show that the spin-orbit coupling cannot be equated with conventional forms for a single electron in solids, LS, Rashba, and Dresselhaus couplings, even in the approximation under the low-energy and small wave number condition. Because of the intrinsic shape of the conduction band, a trigonally alternating spin-momentum locking emerges with the spin axis perpendicular to the layer plane. The theoretical analysis shows that these Janus materials can provide a platform for exploring the spin-related phenomena due to the trigonal spin-momentum locking other than Rashba and Dresselhaus types.
ER  -