Magnetostructural, mechanical and electronic properties of manganese tetraboride
Magnetostructural stabilities, mechanical behaviors and electronic structures of various phases of manganese tetraboride (MnB4) have been investigated systematically by density functional theory (DFT) based first-principles methods.It is found that MnB4 undergoes temperature-induced phase transitions from the nonmagnetic (NM) monoclinic mP20 struct