Chemical- and hydrostatic-pressure-controlled metallization in NiS2−xSex

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Abstract

External control parameters, including pressure, chemical substitution, and temperature, play a central role in modulating the electronic states of strongly correlated systems. In this study, we investigate the metal–insulator transition (MIT) in NiS 2 −  x Se x under the combined influence of hydrostatic and chemical pressure. In pure NiS 2 , the weak ferromagnetic transition temperature shifts in response to applied pressure. Metallization occurs at a relatively low pressure (1.3 kbar) for NiS 1.6 Se 0.4 , while lightly doped NiS 1.9 Se 0.1 requires higher pressure. At x  = 0.5, a metallic state arises solely from chemical substitution, without requiring external pressure. These results underscore the dominant influence of chemical pressure over hydrostatic compression and enable the construction of a unified pressure–doping–temperature phase diagram. These findings offer new insights into correlation-driven MITs and may inform the rational design of functional Mott systems.

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