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Abstract Developing a strategy to enhance the thermoelectric performance of ionic semiconductors is challenging because of the pronounced electron localization inherent to the bonding nature. Herein, we demonstrate a bond manipulation approach in ionic-bonded compound MnTe achieved by the introduction of diverse atomic species, which effectively delocalizes electrons and modifies phase composition, leading to a comprehensive optimization in thermoelectric performance.
Switchable bulk photovoltaic effect in 2D room temperature ferroelectric CuInP2S6 The bulk photovoltaic effect (BPVE) is a crucial branch of nonlinear optics, that plays a significant role in fundamental physics and practical applications. In this study, we have investigated the BPVE of a room-temperature ferroelectric material CuInP2S6 (CIPS) through first-principles calculations and nonlinear response theory.
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