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Realizing Two-Dimensional Altermagnets with 100% Spin Polarization along the [110] Direction in Ambidentate-Ligand Based Square Organometallic Lattices

Abstract

Altermagnetism, as a novel magnetic paradigm, not only possesses a zero net magnetic moment, but also exhibits a substantial nonrelativistic spin-splitting effect. Currently, developing a simple and experimentally feasible method for designing altermagnets is eagerly pursued. Moreover, achieving 100% spin polarization along certain directions in valence or conduction bands for altermagnets remains challenging. To address these issues, based on a tight-binding model, we propose a viable chemical strategy for constructing organometallic altermagnets by using ambidentate ligands. Furthermore, in these organometallic altermagnets, direction-dependent 100% spin polarization along the [110] direction in band edges can be induced via the coexistence of altermagnetically spin-split dispersive and flat bands, where the flat band suppresses electron transport in one spin channel and the dispersive band enables conduction in the other spin channel. Then, via first-principles calculations, a screening of 90 two-dimensional ambidentate-ligand based square organometallic lattices leads to the identification of three altermagnetic materials, namely Fe(taz)2Cl2 (taz = 1,2,4- triazine), Co(app)2Cl2, and Fe(app)2Cl2 (app = 1,4-azaphosphinine), all of which possess 100% spin polarization along the [110] direction in valence bands, as well as notable piezomagnetic behavior. This study paves the way for achieving direction-dependent fully spin-polarization in altermagnetic materials.

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BibTeX
@misc{liu2026realizing,
  title = {{Realizing Two-Dimensional Altermagnets with 100% Spin Polarization along the [110] Direction in Ambidentate-Ligand Based Square Organometallic Lattices}},
  author = {Qing-Bo Liu and Xin-Yi Chen and Xiangyang Li and Xingxing Li and Jinlong Yang},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.12791},
  eprint = {2610.12791},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.12791},
}
RIS
TY  - UNPB
TI  - Realizing Two-Dimensional Altermagnets with 100% Spin Polarization along the [110] Direction in Ambidentate-Ligand Based Square Organometallic Lattices
AU  - Qing-Bo Liu
AU  - Xin-Yi Chen
AU  - Xiangyang Li
AU  - Xingxing Li
AU  - Jinlong Yang
PY  - 2026
DA  - 2026/10/12
PB  - arXiv
DO  - 10.48550/arxiv.2610.12791
UR  - https://arxiv.org/abs/2610.12791
AB  - Altermagnetism, as a novel magnetic paradigm, not only possesses a zero net magnetic moment, but also exhibits a substantial nonrelativistic spin-splitting effect. Currently, developing a simple and experimentally feasible method for designing altermagnets is eagerly pursued. Moreover, achieving 100% spin polarization along certain directions in valence or conduction bands for altermagnets remains challenging. To address these issues, based on a tight-binding model, we propose a viable chemical strategy for constructing organometallic altermagnets by using ambidentate ligands. Furthermore, in these organometallic altermagnets, direction-dependent 100% spin polarization along the [110] direction in band edges can be induced via the coexistence of altermagnetically spin-split dispersive and flat bands, where the flat band suppresses electron transport in one spin channel and the dispersive band enables conduction in the other spin channel. Then, via first-principles calculations, a screening of 90 two-dimensional ambidentate-ligand based square organometallic lattices leads to the identification of three altermagnetic materials, namely Fe(taz)2Cl2 (taz = 1,2,4- triazine), Co(app)2Cl2, and Fe(app)2Cl2 (app = 1,4-azaphosphinine), all of which possess 100% spin polarization along the [110] direction in valence bands, as well as notable piezomagnetic behavior. This study paves the way for achieving direction-dependent fully spin-polarization in altermagnetic materials.
ER  -