Heisenberg exchange pair couplings (1572 pairs) from TB2J
Created by route
Exchange couplings (TB2J)
Mn3(BMo2)2 5pct ab-expanded
Mn3(BMo2)2 with 5% ab-plane expansion. NN Mn-Mn pushed from 2.93 to 3.07A to weaken AFM direct exchange. For Tc enhancement study.