Electronic and magnetic ground state of MnB4

Antiferromagnetic ground state in theMnGa4intermetallic compound

“…Therefore, MnB 4 should be semiconducting and nonmagnetic, but, similar to FeGa 3 , electronic correlations can stabilize magnetism in this compound too. Signatures of cooperative magnetism were indeed observed [8], although not confirmed in independent studies [9,10]. A unified view on the ground state of MnB 4 may involve the competition between Peierls and Stoner mechanisms in avoiding the electronic instability caused by equidistant Mn atoms in the chains [11].…”

Pressure-stabilized MnB6 that exhibits high-temperature ferromagnetism and high ductility at ambient pressure

“…18 Transition metals possess various oxidation states due to their relatively rich valence electrons, making them able to form a diversity of stoichiometric compounds. Previous studies have demonstrated that Mn and B can form at least seven compounds, including experimentally synthesized Mn 2 B, 19 MnB, 20,21 Mn 3 B 4 , 22,23 MnB 2 , 24-27 MnB 3 23 and MnB 4 , [28][29][30][31] and theoretically predicted MnB 12 . 27 These Mn-B compounds contain various types of polymetric boron, including zigzag chains, rectangular-B 4 units, honeycomb layers, and caged structures.…”

“…S1, ESI †), agree with previous results. [20][21][22][23][24][25][26][28][29][30][31] As the pressure is increased, three compounds, Mn 3 B 4 , MnB 2 and MnB 6 , become thermodynamically stable at pressures of 41, 68 and 127 GPa, respectively. Interestingly, the predicted C2/m structure for Mn 3 B 4 is energetically more favorable than the previous structures, 0.26 eV f.u.…”