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First-principles study of the structural stability of cubic, tetragonal and hexagonal phases in Mn<sub>3</sub>Z (Z=Ga, Sn and Ge) Heusler compounds
We investigate the structural stability and magnetic properties of the cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds using first-principles density-functional theory. We propose that the cubic phase plays an important role as an intermediate state in the phase transition from the hexagonal to the …