Negative thermal expansion material TaVO is recently reported to have pressure induced structural phase transition and irreversible amorphization at 0.2 and above 8 GPa, respectively. Here, we have investigated the high pressure phase of TaVO using in situ neutron diffraction studies. The first high pressure phase is identified to be monoclinic P2/ c phase, same as the low temperature phase of TaVO. On heating, amorphous TaVO transformed to a new crystalline phase, which showed signatures of higher coordination of vanadium indicating pressure induced amorphization (PIA). PIA observed in TaVO might be due to the kinetic hindrance of pressure induced decomposition (PID) into a compound with higher coordination of vanadium. Mechanism of PIA observed in TaVO is investigated by carrying out ex situ Raman, XRD, XPS, and XAS measurements. We have also proposed a pressure-temperature phase diagram of TaVO qualitatively delineating the phase boundaries between the ambient orthorhombic, monoclinic, and amorphous phases.

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http://dx.doi.org/10.1021/acs.inorgchem.8b00590DOI Listing

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