First-principles calculations demonstrated that the substitution of In for Ge has a lower energy barrier for phase transition than the substitution of In for Co in MnCoGe alloys. ELF calculations further reveal the regulated hysteresis’s atomic coordination origin. This theoretical prediction is completely verified by combining neutron, magnetic and calorimetric measurements; consequently, a largely enhanced barocaloric effect has been achieved.
- Zi-Bing Yu
- Hou-Bo Zhou
- Bao-Gen Shen
