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DOE OSTI · 2530228

Altermagnetic behavior in OsO 2 : Parallels with RuO 2

Abstract

We investigate and compare the electronic structure of OsO 2 with the extensively studied RuO 2 . Calculations show that OsO 2 exhibits antiferromagnetism and spin splitting driven by crystal symmetry, a characteristic of altermagnetism and similar to RuO 2 . Examination of the Fermi surface, with and without spin-orbit coupling, reveals that OsO 2 has lower Fermi group velocities compared to RuO 2 , suggesting limited charge carrier mobility in OsO 2 . While this characteristic may constrain its performance in high-speed electronic transport applications, it may also enhance stability for spin-based information storage in spintronics. Additionally, comparison of the vibrational properties of these rutile oxide systems demonstrates dynamical stability, typical mass dependent behaviors, and favorable agreement with measured Raman data. The calculated phonon density of states for RuO 2 also agrees with our neutron scattering data. These observations substantiate the implications of the electronic and vibrational behaviors in OsO 2 and RuO 2 , encouraging further investigation of their potential for emerging technological applications.

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BibTeXRIS

Raghuvanshi, Parul Rani [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000223254324), Berlijn, Tom [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000210012238), Parker, David S. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000161011334), Wang, Shaofei [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000171319172), Manley, Michael E. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000340539986), Hermann, Raphaël P. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000261385624), Lindsay, Lucas [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000196457993), Cooper, Valentino R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000167144410). 2025-03-11. Altermagnetic behavior in OsO 2 : Parallels with RuO 2. https://doi.org/10.1103/physrevmaterials.9.034407

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36 MATERIALS SCIENCE↗