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First-principles calculations based on DFT + U were performed on electronic and optical properties of F, Mn-codoped cubic ZrO2. The calculations show a half-metallic ferromagnetism behavior of the system. Both the direct 2p–3d interaction and the indirect 3d–2p–4d interaction can be expected to contribute to the long range magnetic coupling. By substitutional codoping of F and Mn, it can be found...
A highly refractive and transparent poly(arylene sulfide sulfone) (PASS) containing pyrimidine (or pyridazine) unit has been developed. The polymer was prepared by a polycondensation reaction of 4,4′-dimercaptodiphenyl sulfone (DMDPS) and 4,6-dichloropyrimidine (DCPM) (or 3,6-dichloropyridazine (DCPD)). They showed good thermal stabilities such as a relatively high glass transition temperature of...
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