Abstract
We investigate and compare the electronic structure of OsO2 with the extensively studied RuO2. Calculations show that OsO2 exhibits antiferromagnetism and spin splitting driven by crystal symmetry, a characteristic of altermagnetism and similar to RuO2. Examination of the Fermi surface, with and without spin-orbit coupling, reveals that OsO2 has lower Fermi group velocities compared to RuO2, suggesting limited charge carrier mobility in OsO2. 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 RuO2 also agrees with our neutron scattering data. These observations substantiate the implications of the electronic and vibrational behaviors in OsO2 and RuO2, encouraging further investigation of their potential for emerging technological applications.
