The solid solutions based on alloys are synthesized by arc-melting or HF induction furnace and the corresponding crystal structures are established by using the X-ray diffraction and the Rietveld refinement method. The resistivity and the thermoelectric Seebeck coefficient referred to the pure copper is measured in the temperature range 80 – 380 K. Static magnetic susceptibility is also measured at room temperature. Based on first-principles spin-density functional calculations and using mainly the Korringa-Kohn-Rostoker method (KKR) combined with the Coherent Potential Approximation (CPA), both electronic and magnetic structures of these alloys are investigated. Thermoelectric Seebeck coefficient calculations are performed and comparisons are made between experiments and simulated results. Energy conversion performance in terms of the efficiency and figure of merit will be discussed and comparisons with other thermoelectric materials will be presented.
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