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A pressure-induced phase transition, associated with an increase of thecoordination number of In and Ta, is detected beyond 13 GPa in InTaO4 bycombining synchrotron x-ray diffraction and Raman measurements in a diamondanvil cell with ab-initio calculations. High-pressure optical-absorptionmeasurements were also carried out. The high-pressure phase has a monoclinicstructure which shares the same space group with the low-pressure phase (P2/c).The structure of the high-pressure phase can be considered as a slightdistortion of an orthorhombic structure described by space group Pcna. Thephase transition occurs together with a unit-cell volume collapse and anelectronic bandgap collapse observed by experiments and calculations.Additionally, a band crossing is found to occur in the low-pressure phase near7 GPa. The pressure dependence of all the Raman-active modes is reported forboth phases as well as the pressure dependence of unit-cell parameters and theequations of state. Calculations also provide information on IR-active phononsand bond distances. These findings provide insights into the effects ofpressure on the physical properties of InTaO4.

Pressure-induced phase transition and bandgap collapse in the wide-bandgap semiconductor InTaO4