The regular mechanism guiding for the selection of heavy metals (HMs) that adapt to different structures is thoroughly investigated. A predictive materials design framework is established based on the element distribution states analysis from high-resolution transmission electron microscopy (HRTEM) experiments to guide the complex design explorations for spin-orbit torque (SOT) devices. Based on surface free energy and formation enthalpy analyses, it is found that not only a critical HM material type but also an appropriate structure selection will contribute to the excellent magnetic properties required for SOT device control and design. Furthermore, the HM layers with high formation enthalpy value are critical for device performance enhancement, and HM layers with a high (low) surface free energy are better choices for the bottom (top) structure. The researches help to establish a predictive materials design framework, and is effective in designing memory cells with critical SOT effect.
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