2 papers
cond-mat.mtrl-sci2026
Vibrational Origin of the Barocaloric Effect in the Spin-Crossover Complex Fe(pap-5NO2)2: A Combined DFT and Mean-Field Study
Alan de Souza, Antonio M. dos Santos, Yongqiang Cheng +2
Despite the barocaloric performance recently reported for the spin-crossover complex Fe(pap-5NO2)2, the microscopic origin of its pressure-induced entropy change remains poorly und…
cond-mat.mtrl-sci2023
Spin crossover transition driven by pressure: Barocaloric applications
Mario Reis, Yongqiang Cheng, Antonio M. dos Santos
This article describes a mean-field theoretical model for Spin-Crossover (SCO) materials and explores its implications. It is based on a simple Hamiltonian that yields the high spi…