Pressure and Temperature Dependence of the Ferroelectric–Paraelectric Phase Transition in PbTiO3

Sani, Alessandra; Hanfland, Michael; Levy, Davide

doi:10.1006/jssc.2002.9653

Cited by 31 publications

(28 citation statements)

References 24 publications

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“…Consequently, the A cation moves away from the center of the B 8 cube, which is accompanied by the bending of the B-O-B bonds and the rotation of the BO 6 octahedra to form a lower-coordinate AO n polyhedron (n < 12) with short AÀO bonds. The distortion of the ideal cubic perovskite toward a non-centrosymmetric FE structure requires another local instability apart from t < 1, namely, the second-order Jahn-Teller (SOJT) instability [4][5][6] of the A-site and/or B-site cation.As found for PbTiO 3 , [7] PbVO 3 , [8] and BiCoO 3 , [9] moving the A cation toward the center of one B 4 face (Figure 1 a) leads to a tetragonal FE structure with space group P4mm. The B cations move away from the approaching A cations such that the coordinate environment of each B cation is more like a BO 5 square pyramid with shortened axial B À O bond.…”

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Ferroelectricity in Perovskites with s⁰ A‐Site Cations: Toward Near‐Room‐Temperature Multiferroics

et al. 2010

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Magnetic ferroelectric (FE) materials (that is, multiferroics) have received much attention and can have wide technological applications owing to the possibility of controlling their electric properties and their magnetic properties by electric fields. [1, 2] An important class of multiferroic and FE [3] materials is based on perovskites, ABO anion). In most cases, the A cations are small, so that t < 1 and the AÀO bonds are too long to maintain the ideal cubic structure. Consequently, the A cation moves away from the center of the B 8 cube, which is accompanied by the bending of the B-O-B bonds and the rotation of the BO 6 octahedra to form a lower-coordinate AO n polyhedron (n < 12) with short AÀO bonds. The distortion of the ideal cubic perovskite toward a non-centrosymmetric FE structure requires another local instability apart from t < 1, namely, the second-order Jahn-Teller (SOJT) instability [4][5][6] of the A-site and/or B-site cation.As found for PbTiO 3 , [7] PbVO 3 , [8] and BiCoO 3 , [9] moving the A cation toward the center of one B 4 face (Figure 1 a) leads to a tetragonal FE structure with space group P4mm. The B cations move away from the approaching A cations such that the coordinate environment of each B cation is more like a BO 5 square pyramid with shortened axial B À O bond. In PbTiO 3 , PbVO 3 , and BiCoO 3 , the s 2 A-site cations Pb 2+ and Bi 3+ are susceptible to a SOJT distortion, which mixes the empty 6p orbital of A into the filled 6s 2 orbital of A hence forming a lone pair on A.[4] In PbTiO 3 , the B-site cation Ti 4+ (d 0 ) is also susceptible to a SOJT distortion, which mixes the empty Ti 3d orbitals into the filled 2p orbitals of the oxygen atom of the axial Ti À O bond. [5,6] Thus, in PbTiO 3 , the need to make short PbÀO bonds and the SOJT instabilities of both Pb 2+ and Ti 4+ ions cooperate to give rise to the observed FE distortion. [10, 11] Another type of the A-cation displacement from the center of the B 8 cube is the movement toward one corner of the B 8 cube along the body-diagonal direction (that is, the C 3 rotational axis; Figure 1 b) to form a non-centrosymmetric FE trigonal structure with space group R3c, as found for BiFeO 3 .[12] The movement of the A cation toward one corner is equivalent to that toward the opposite corner, and the two energetically-equivalent FE structures are mutually interconverted through the centrosymmetric paraelectric (PE) trigonal structure with space group R3 c (Figure 1 c). [13, 14] For BiFeO 3 , the FE Curie temperature (T E = 1123 K) [15] and the three-dimensional antiferromagnetic ordering temperature (T N = 650 K) [16] are well above room temperature. For with space group R3c. For simplicity, only the two BO 6 octahedra at the two corners of the B 8 cube along the body-diagonal direction and the AO 3 unit lying between the two octahedra are shown. The AO 3 unit merges with the upper BO 6 octahedron to form a distorted AO 6 octahedron, which shares its face with the upper BO 6 octahedron, resulting in the face-sharing octah...

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confidence: 63%

“…As found for PbTiO 3 , [7] PbVO 3 , [8] and BiCoO 3 , [9] moving the A cation toward the center of one B 4 face (Figure 1 a) leads to a tetragonal FE structure with space group P4mm. The B cations move away from the approaching A cations such that the coordinate environment of each B cation is more like a BO 5 square pyramid with shortened axial B À O bond.…”

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confidence: 63%

Ferroelectricity in Perovskites with s⁰ A‐Site Cations: Toward Near‐Room‐Temperature Multiferroics

et al. 2010

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“…Indeed, a variety of pressure-induced reversible transformations were reported in ferroelectrics such as PbTiO 3 perovskite. [14][15][16] However, the high-pressure behavior of Bi-based perovskites has not been extensively investigated. Only a few studies have been done on multiferroics ͓e.g., BiNiO 3 , 17 BiMnO 3 , 18 and BiFeO 3 ͑Refs.…”

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confidence: 99%

High-pressure phase transitions inBiMO3(M=Al, Ga, and In):In situx-ray diffraction and Raman scattering experiments

et al. 2009

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In situ x-ray diffraction and Raman scattering experiments using a diamond anvil cell revealed high-pressure forms of BiMO 3 ͑M = Al, Ga, and In͒ under hydrostatic conditions at room temperature. Various perovskitetype structures are found in each compound under pressure up to 11 GPa. However, none of the high-pressure forms was quenched at atmospheric pressure. All of the phase transitions are confirmed to be reversible. During decompression, symmetry changes, R3m to R3c, Cmcm to Cm, and Pnma to Pna2 1 are observed in BiAlO 3 , BiGaO 3 , and BiInO 3 perovskite, respectively. Structure systematics of the BiMO 3 perovskites is given on the basis of the cationic size of M 3+ .

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“…The tetragonality (c/a) decreases when La content decreases in the tetragonal phase, but is considerably smaller than that of PbTiO 3 , suggesting that the Curie point of PLT decreases with the La doping. The lattice parameters of PLT in present case are smaller than those of PLT prepared by solid-state reaction method or sol-gel method [4,19]. The PLT powders synthesized under different temperature had about the same lattice parameters, reflecting almost identical chemical compositions.…”

Section: Resultsmentioning

confidence: 55%

Large-scale synthesis of Pb1−La TiO3 ceramic powders by molten salt method

Cai

Xing

et al. 2006

Journal of Alloys and Compounds

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Pressure and Temperature Dependence of the Ferroelectric–Paraelectric Phase Transition in PbTiO3

Cited by 31 publications

References 24 publications

Ferroelectricity in Perovskites with s⁰ A‐Site Cations: Toward Near‐Room‐Temperature Multiferroics

Ferroelectricity in Perovskites with s⁰ A‐Site Cations: Toward Near‐Room‐Temperature Multiferroics

High-pressure phase transitions inBiMO3(M=Al, Ga, and In):In situx-ray diffraction and Raman scattering experiments

Large-scale synthesis of Pb1−La TiO3 ceramic powders by molten salt method

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Pressure and Temperature Dependence of the Ferroelectric–Paraelectric Phase Transition in PbTiO3

Cited by 31 publications

References 24 publications

Ferroelectricity in Perovskites with s0 A‐Site Cations: Toward Near‐Room‐Temperature Multiferroics

Ferroelectricity in Perovskites with s0 A‐Site Cations: Toward Near‐Room‐Temperature Multiferroics

High-pressure phase transitions inBiMO3(M=Al, Ga, and In):In situx-ray diffraction and Raman scattering experiments

Large-scale synthesis of Pb1−La TiO3 ceramic powders by molten salt method

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Ferroelectricity in Perovskites with s⁰ A‐Site Cations: Toward Near‐Room‐Temperature Multiferroics

Ferroelectricity in Perovskites with s⁰ A‐Site Cations: Toward Near‐Room‐Temperature Multiferroics