collaborators

1 paper

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…