Pressure-Induced Large Volume Collapse, Plane-to-Chain, Insulator to Metal Transition in CaMnBi.

In situ high pressure single crystal X-ray diffraction study reveals that the quantum material CaMnBi undergoes a unique plane to chain structural transition between 2 and 3 GPa, accompanied by a large volume collapse. Puckered Mn-Mn honeycomb layer converts to quasi-one-dimensional (1D) zigzag chains above the phase transition pressure. Single crystal measurements reveal that the pressure-induced structural transformation is accompanied by a dramatic 2 orders of magnitude drop of resistivity. Although the ambient pressure phase displays semiconducting behavior at low temperatures, metallic temperature dependent resistivity is observed for the high pressure phase, as surprisingly, are two resistivity anomalies with opposite pressure dependences, while one of them could be a magnetic transition and the other originates from Fermi surface instability. Assessment of the total energies for hypothetical magnetic structures for high pressure CaMnBi indicates that ferrimagnetism is thermodynamically favored.