Effects of defects on electrical transport properties of anatase TiO<sub>2</sub> polycrystalline under high pressure: AC impedance measurement

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Abstract

The electrical transport properties of anatase TiO ₂polycrystalline have been systematically investigated by using high pressure in-situimpedance spectroscopy measurements. The anomalous behaviors of resistance, parameter factor and relaxation frequency of grain and grain boundary can be found at 6.4, 11.5 and 24.6 GPa. The results indicate that the first two discontinuous points (6.4 and 11.5 GPa) correspond to the phase transitions of TiO ₂from anatase to α-PbO ₂and then to baddeleyite, respectively. Above 24.6 GPa, TiO ₂completely transforms into the baddeleyite phase. Based on the change of grain resistance and grain boundary resistance under pressure, intrinsic defects play a crucial effect in the electrical transport properties of TiO ₂at high pressures. At 6.4 GPa, the occurrence of phase transition gives rise to the variation of defects’ role, from a deep energy level defect (as a recombination centre) changes into a shallow energy level defect (providing carriers for the conduction and valence bands). In addition, the position of defect in energy band changes with pressure increasing. The phase transition of TiO ₂at 6.4 GPa is the rearrangement of TiO ₆octahedron, while the other one at 11.5 GPa can be attributed to the migration of oxygen Schottky defects from inner to surface. Combining the packing factor and relaxation frequency, the electrical transport properties of TiO ₂under pressure are revealed, the packing factor and the relaxation frequency are closely related to the mobility and the carrier concentration, respectively. The activation energy of grain and grain boundary decrease with the pressure elevating, indicating that the transport of carriers in grain and grain boundary become easier under pressure, and the former is smoother than the latter owing to the activation energy of grain being smaller than that of grain boundary in the same pressure range. Moreover, the relaxation frequency ratio of TiO ₂grain and TiO ₂grain boundary decreases with pressure increasing, and the grain boundary effect under high pressure is not obvious.

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Corresponding author:Wang Chun-Jie,cjwang@foxmail.com

Funds:Project supported by the National Natural Science Foundation of China (Grant No. 12004050) and the Research Foundation of the Education Department of Liaoning Province, China (Grant No. LJKMZ20221493).

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Pressure region/GPa	dE/dP/(meV·GPa^–1)
Pressure region/GPa	Grain	Grain boundary
0—6.4	–11.51	–22.79
6.4—11.5	–7.59	–9.33
11.5—24.6	–6.16	–6.82
24.6—38.9	–3.54	–4.91

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Vol. 72, Issue 12 - 2023-06-20

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