Quantum 2025 – wissenschaftliches Programm

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MON: Monday Contributed Sessions

MON 12: Quantum Magnets

MON 12.5: Vortrag

Montag, 8. September 2025, 15:15–15:30, ZHG105

V₂Se₂O and Janus V₂SeTeO: Monolayer altermagnets for the thermoelectric recovery of low-temperature waste heat — •Shubham Rakesh Singh, Paresh C. Rout, Mohammed Ghadiyali, and Udo Schwingenschlögl — Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabi

We determine the thermoelectric properties of the V₂Se₂O and Janus V₂SeTeO monolayer altermagnets with narrow direct band gaps of 0.74 and 0.26 eV, respectively. Monte Carlo simulations reveal Néel temperatures of 800 K for V₂Se₂O and 525 K for Janus V₂SeTeO. The electrical conductivity is higher for p-type charge carriers than for n-type charge carriers due to lower effective masses. The presence of heavy Te atoms in Janus V₂SeTeO results in lower phonon group velocities, higher phonon scattering rates, and higher lattice anharmonicity than in the case of V₂Se₂O, leading to an almost 19-fold reduction of the lattice thermal conductivity at 300 K. The thermoelectric figure of merit of V₂Se₂O reaches 0.4 (0.1) and that of Janus V₂SeTeO reaches 2.7 (1.0) just below the Néel temperature at the optimal p-type (n-type) charge carrier density, demonstrating that altermagnets have excellent potential in the thermoelectric recovery of low-temperature waste heat.

Keywords: Altermagnets; Monte Carlo simulation; Thermoelectric; Phonon transport; Lattice anharmonicity