Lattice parameters of lead titanate were precisely re-determined in thetemperature range of-150-950 deg C by high precision XRPD measurements. It was clarified that therewas no any evidence for a new phase transition ...Lattice parameters of lead titanate were precisely re-determined in thetemperature range of-150-950 deg C by high precision XRPD measurements. It was clarified that therewas no any evidence for a new phase transition at low tempera-lures. Tetragonal distortion straindecreases with temperature increasing. A novel thermal expansion was observed, positive thermalexpansion from -150 deg C to room temperature (RT) and above 490 deg C, and the negative thermalexpansion in the temperature range of RT-490 deg C. A big jump of thermal expansion coefficient isattributed to the tetragonal-cubic phase transition. A rationalization for the negative thermalexpansion of PbTiO_3 is due to the decrease of anion-anion repulsion as polyhedra become moreregular at heating. The mechanisms of positive and negative thermal expansions were elucidated asthe same nature in the homogenous tetragonal phase at present case.展开更多
基金This work is financially supported by Natural Science Foundation of Beijing(No.2032010)National Natural Science Foundation of China(No.20171006)Funds of Ministry of Education of China for Training Ph.D.Candidates (No.2001008005)
文摘Lattice parameters of lead titanate were precisely re-determined in thetemperature range of-150-950 deg C by high precision XRPD measurements. It was clarified that therewas no any evidence for a new phase transition at low tempera-lures. Tetragonal distortion straindecreases with temperature increasing. A novel thermal expansion was observed, positive thermalexpansion from -150 deg C to room temperature (RT) and above 490 deg C, and the negative thermalexpansion in the temperature range of RT-490 deg C. A big jump of thermal expansion coefficient isattributed to the tetragonal-cubic phase transition. A rationalization for the negative thermalexpansion of PbTiO_3 is due to the decrease of anion-anion repulsion as polyhedra become moreregular at heating. The mechanisms of positive and negative thermal expansions were elucidated asthe same nature in the homogenous tetragonal phase at present case.
