Pressure induced metallization with absence of structural transition in layered molybdenum diselenide

摘要: Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal structures away from the pristine states. Here, we systematically investigated pressurized behavior of MoSe2 up to ∼ 60 GPa using multiple experimental techniques ab-initio calculations. evolves an anisotropic two-dimensional layered network three-dimensional structure without structural transition, which complete contrast MoS2. The role chalcogenide anions in stabilizing different patterns underscored by our layer sliding possesses highly tunable transport properties under pressure, determined gradual narrowing its band-gap followed metallization. continuous range visible light infrared suggest possible energy-variable optoelectronics applications dichalcogenides.