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Hybrid perovskites have been at the forefront of condensed matter researchparticularly in context of device applications primarily in relation toapplications in the field of solar cells. In this article, we demonstrate thatseveral new functionalities may be added to the arsenal of hybrid perovskites,in terms of external stimuli driven spin transitions as well as piezochromism.As an example, we study Dimethylammonium Manganese Formate (DMAMnF), a hybridperovskite investigated quite extensively experimentally. We show by employingfirst principles DFT+U calculations with the aid of ab initio moleculardynamics calculations that DMAMnF shows temperature and pressure driven spintransitions, from a low spin $S=1/2$ to a high spin $S=5/2$ state. Thistransition is accompanied by a hysteresis, and we find that this hysteresis andthe transition temperature are quite close to room temperature, which isdesirable for device applications particularly in memory, display, andswitching devices. The operating pressure is a few GPa, which is accessible instandard laboratory settings. We find that the cooperative behaviour showing upas hysteresis accompanying the transition is driven primarily by elasticinteractions, assisted by magnetic superexchange between Mn atoms. Last but notleast we demonstrate that the spin transition is associated with piezochromismwhich could also be important for applications.

Temperature and Pressure-driven Spin transitions and Piezochromism in a Mn-based Hybrid Perovskite