English

Global magnetic phase diagram and multiple unconventional magnets in NiAs-type compounds

Materials Science 2026-05-28 v1

Abstract

NiAs-type compounds such as CrSb and MnTe host gg-wave altermagnet (AM) state. In order to search other possible unconventional magnets in this system, we present a global magnetic phase diagram based on a classical J1J_1-J2J_2-J3J_3 Heisenberg model and density functional theory (DFT) calculations. We find another gg-wave AM state and two ff-wave OPMs in the phase diagram. Intriguingly, we show that a mixed-parity of the ff-wave OPM and gg-wave AM state can naturally emerge in an umbrella-like noncollinear magnetic structure. Our DFT calculations show that CrSe and CrTe1x_{1-x}Sex_x are generally in such mixing state with dominated ff-wave component. The interlayer next-nearest-neighbor coupling J3J_3 is shown to be crucial in determining the phase diagram and in inducing strong competition between conventional and unconventional magnets. Inspired by this, we demonstrate that AM or OPM could be realized by applying chemical doping or strain to conventional magnets. Our results provide a guidance for design of both even- and odd-parity as well as mixed-parity unconventional magnets in NiAs-type compounds.

Keywords

Cite

@article{arxiv.2605.28391,
  title  = {Global magnetic phase diagram and multiple unconventional magnets in NiAs-type compounds},
  author = {Shibo Shen and Yilin Wang},
  journal= {arXiv preprint arXiv:2605.28391},
  year   = {2026}
}

Comments

5 pages, 3 figures in main text