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MA: Fachverband Magnetismus
MA 54: Altermagnets VI
MA 54.3: Vortrag
Freitag, 13. März 2026, 10:00–10:15, HSZ/0002
Mn4As3: a structure-search prediction of altermagnetism in a tetragonal Mn-As compound — •Bo Tai1, Yu Zhu1, Weikang Wu2, and Xiaolong Feng1 — 1Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Straße 40, 01187 Dresden, Germany — 2Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061, China
We predict that 2D Mn4As3 is a dynamically stable altermagnetic Mn-As compound obtained from an ab initio structure search. The search identifies a tetragonal P4/mmm structure as the lowest-energy configuration, and confirming its dynamical stability. Using first-principle calculation, we find 2D Mn4As3 (P4’/mm’m) breaks PT symmetry while preserving zero net magnetization, realizing an altermagnetic state. Spin-resolved band structures reveal characteristic momentum-dependent spin splitting: spin-up and spin-down bands are split along Γ-X and Γ-Y but remain degenerate along Γ-M, leading to a Fermi-surface spin texture with a d-wave-like pattern of spin splitting. Berry-curvature and transport calculations further show that rotating the magnetic moment (Néel vector) direction provides effective control over both the anomalous Hall conductivity and the positions of band crossings near the Fermi level. These results establish structure-searched Mn4As3 as a dynamically stable altermagnet and a promising platform for magnetization-direction control of Berry-phase transport in Mn-pnictides.
Keywords: Altermagnetism; Spintronics; First-principles calculations; Transition-metal pnictides; Anomalous Hall effect