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Düzce Üniversitesi Bilim ve Teknoloji Dergisi, vol.13, no.4, pp.1583-1591, 2025 (TRDizin)
Magnetic anisotropy at the nanoscale is a key property for developing advanced spintronic devices, information storage systems, and gas sensors. In this study, we investigate the hydrogen-assisted perpendicular magnetic anisotropy (PMA) in the Co/Ir interface through first-principles density functional theory calculations. Initially, the Co/Ir system exhibits in-plane magnetic anisotropy (IMA). Upon hydrogen absorption, a significant increase in magnetic anisotropy energy is observed, indicating a transition from IMA to PMA. This behavior contrasts sharply with the Co/Rh system, where hydrogen absorption leads to a reduction in magnetic anisotropy energy and a switch from PMA to IMA. The underlying mechanism of these transitions is linked to the hybridization of atomic orbitals at the interface. These findings highlight the potential of hydrogenation as a tool to reversibly control magnetic anisotropy in Co/Ir interfaces, paving the way for new applications in spintronics and gas sensing technologies.