Pressurized phase transition cascade in BaMn$_2$P$_2$ and BaMn$_2$As$_2$

N. S. Pavlov; I. R. Shein; I. A. Nekrasov

paper

Pressurized phase transition cascade in BaMn $_{2}$ P $_{2}$ and BaMn $_{2}$ As $_{2}$

arXiv:2406.03904

Abstract

The structural analogue of iron-based superconductors the BaMn $_{2}$ P $_{2}$ and BaMn $_{2}$ As $_{2}$ compounds under hydrostatic pressure upto 140 GPa were studied within the framework of DFT+U. The transition from an antiferromagnetic (AFM) insulator to an antiferromagnetic metal is observed under pressure of 6.4 GPa for BaMn $_{2}$ P $_{2}$ and 8.3 GPa for BaMn $_{2}$ As $_{2}$ . This second order phase transition to the AFM metallic state provides an appropriate normal state for possible superconductivity in these materials. Moreover, a further increase in pressure leads to a series of first order magnetostructural phase transitions between different antiferromagnetic phases, then to a ferromagnetic metal and finally to a nonmagnetic metal. In case of doping these compounds could potentially be a superconductors under pressure (above 6-8 GPa) with critical temperature growing under pressure.

5 pages, 5 figures

Pressurized phase transition cascade in BaMn2​P2​ and BaMn2​As2​

Abstract

Pressurized phase transition cascade in BaMn $_{2}$ P $_{2}$ and BaMn $_{2}$ As $_{2}$