Competing rhombohedral and monoclinic crystal structures in Mn$P{n}_{2}C{h}_4$ compounds: an {\em ab-initio} study

S. V. Eremeev, M. M. Otrokov, E. V. Chulkov

Based on the relativistic spin-polarized density functional theory calculations we investigate the crystal structure, electronic and magnetic properties of a family MnPn2Ch4 compou…