Kavli Affiliate: Long Zhang
| First 5 Authors: Long Zhang, Long Zhang, , ,
| Summary:
Altermagnets have recently garnered significant interest due to their
vanishing net magnetic moment and non-relativistic momentum-dependent spin
splitting. However, altermagnetic (AM) multiferroics especially triferroics
remain scarce. We investigate the experimentally synthesized non-van der Waals
CrSb as a model system to explore the effects of dimensionality and facet
orientation on its ferroic properties. NiAs, MnP, wurtzite (WZ), zincblende
(ZB), and rocksalt (RS) phases are considered. Using first-principles
calculations, we predict the altermagnetism of CrSb in MnP phase which has
comparable stability with experimental NiAs phase. Both NiAs- and MnP-phase
(110) facets exhibit AM-ferroelastic (FC) biferroics, while the WZ-phase bulk
and (001) facets host ferromagnetic (FM) or AM-ferroelectric (FE) biferroics.
Notably, the WZ-phase (110) facets are identified as FM/AM-FE-FC triferroics,
with moderate energy barriers of 0.129 and 0.363 eV atom-1 for FE and FC
switching, respectively. Both FE and FC switching can reverse the AM spin
splitting in antiferromagnetic (AFM) configurations while preserving the high
spin polarization in FM states. The magnetic anisotropy is highly tunable,
exhibiting either uniaxial or in-plane behavior depending on the phase,
dimension, and facet. This work establishes a framework for designing AM
multiferroics through polymorphic, dimensional, and facet engineering, offering
promising avenues for multifunctional spintronic applications.
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