Abstract

This study employs first-principles calculations to investigate the electronic and magnetic properties of Ni2In type Mn2Ge. Our total energy calculations suggests that ferrimagnetic state is more probable compared to the ferromagnetic state as the ground state for hexagonal Mn2Ge. The applied lattice strain is found to have influence in flipping the spins of Mn atoms from a ferromagnetic state to an antiferromagnetic state. An analysis of the electronic band structure reveals the metallic nature in Mn2Ge. However, the existence of Weyl points and Dirac nodal lines introduces an additional layer of complexity, positioning hexagonal Mn2Ge as an attractive topological ferrimagnetic material with unique magnetostrictive properties. These insights might pave the way for further investigation and potential applications in the realm of spin-based technologies.

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