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- W4308489237 abstract "• Barocaloric effect in spin-crossover materials (SCO); • Magnetic, vibrational and configurational entropies contributions at low-high spin phase transition; • Conditions for the appearance of hysteresis in (SCO)-compounds; • Obtention of molecular volume changing, in (SCO)-materials, through the barocaloric effect. We report a theoretical investigation of the entropic barocaloric effect in a spin crossover system. From our model Hamiltonian, the total entropy, which includes the contributions from the lattice (vibrational), magnetic and configurational entropies, was obtained and worked out for a systematic study of the barocaloric effect. The barocaloric effect was parametrically investigated in three scenarios: second order, threshold of second-first order and first order phase transition. Besides, a procedure for obtaining the molecular volume change during the low spin to high spin phase transition conversion was proposed, through the entropic barocaloric measurements." @default.
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- W4308489237 date "2022-12-01" @default.
- W4308489237 modified "2023-09-28" @default.
- W4308489237 title "Theoretical investigation of entropic barocaloric effect in spin-crossover systems" @default.
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- W4308489237 doi "https://doi.org/10.1016/j.jmmm.2022.170121" @default.
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