Pressure induced phase transitions and magneto-structural coupling in transition metal molybdates

Transition metal molybdates, such as NiMoO₄ and CoMoO₄, exhibit diverse functionalities in energy storage, catalysis, and spintronics due to their tunable electronic and magnetic properties. Both molybdates undergo a transition to an antiferromagnetic state at low temperatures. Despite their importance as multifunctional materials, their high pressure-low temperature (HP-LT) structural phase diagram remains unknown. Recent high-pressure single-crystal X-ray diffraction (HP SCXRD) studies on α-NiMoO₄ at room temperature (RT) suggest a possible structural transition near 15 GPa. This proposal aims to extend these investigations using HP SCXRD at both RT and LT to explore structural changes linked to magnetic ordering. By comparing the effects of Ni and Co substitution, we seek to establish key structure-property correlations. The findings will offer insights into pressure-induced phase transitions, magneto-structural interactions, and material stability under extreme conditions.