Metal–Insulator Transition in Doped Barium Plumbates
Abstract
:1. Introduction
2. Materials and Methods
2.1. Sample Preparation
2.2. Density Measurement
2.3. Scanning Electron Microscope (Sem) Analysis
2.4. X-ray Diffraction (Xrd) Analysis
2.5. Neutron Powder Diffraction Analysis
2.6. Electrical Conductivity
2.7. Thermopower
3. Results and Discussion
3.1. Scanning Electron Microscope
3.2. XRD
3.3. Neutron Powder Diffraction
3.4. Thermopower
3.5. Electrical Conductivity
- (i)
- Carriers get increasingly trapped in the lattice, forming polarons, which are known to have considerably less mobility than bare/itinerant electrons. Such polarons favor formation at higher temperatures because of enhanced electron–phonon interaction.
- (ii)
- Sr-doping introduces holes to the valence band that may recombine with the electrons, thereby reducing electron/polaron (carrier) concentration. Reduced carrier concentration also leads to inevitable reduction in conductivity.
3.5.1. MIT in Ba(Pb1−xSrx)O3−z
Hubbard Model of MIT
Mott Model of MIT
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Composition | Activation Energy, Eg(eV) * | Optical Band Gap (eV) | Density (g/cm3) | Ln(σ) (Ω.m)−1 at 473 K | Thermopower (μV/K) at 473 K |
---|---|---|---|---|---|
BaPbO3−z | - | - | 6.23 | 12.21 | −35.3 |
Ba(Pb0.9Sr0.1)O2.85 | - | - | 6.22 | 11.50 | −29.6 |
Ba(Pb0.8Sr0.2)O2.82 | 0.096 | 0.191 | 5.86 | 7.65 | −20.3 |
Ba(Pb0.7Sr0.3)O3−z | 0.101 | 0.202 | 5.68 | 6.72 | −17.6 |
Ba(Pb0.6Sr0.4)O3−z | 0.240 | 0.480 | 5.50 | 4.36 | −10.4 |
Atom | Site | x | y | z | n | B11 (Å2) | B22 (Å2) | B33 (Å2) | B12 (Å2) | B13 (Å2) | B23 (Å2) |
---|---|---|---|---|---|---|---|---|---|---|---|
Ba | 4e | 0.5001 (7) | 0 | ¼ | 1 | 1.09 (6) | 1.1 (1) | 0.068 (9) | 0 | 0 | 0 |
Pb/Sr | 4a | 0 | 0 | 0 | 0.9/0.1 | 0.71 (5) | 0.92 (6) | 0.3 (1) | 0 | −0.10 (6) | - |
O(1) | 4e | 0.0515 (5) | 0 | ¼ | 0.94 (1) | 1.6 (1) | 3.0 (2) | 0.3 (1) | 0 | 0 | 0 |
O(2) | 8g | ¼ | ¼ | −0.0275 (2) | 0.956 (8) | 1.76 (8) | 1.8 (1) | 1.86 (8) | −0.86 (9) | 0 | 0 |
Atom | Site | x | y | z | n | B11 (Å2) | B22 (Å2) | B33 (Å2) | B12 (Å2) | B13 (Å2) | B23 (Å2) |
---|---|---|---|---|---|---|---|---|---|---|---|
Ba | 4e | 0.5002 (6) | 0 | ¼ | 1 | 1.14 (7) | 1.1 (1) | 0.90 (9) | 0 | 0 | 0 |
Pb/Sr | 4a | 0 | 0 | 0 | 0.79/0.21 (2) | 0.65 (5) | 0.80 (6) | 0.24 (6) | 0 | −0.10 (6) | - |
O(1) | 4e | 0.0510 (5) | 0 | ¼ | 0.89 (1) | 1.4 (1) | 2.6 (2) | 0.2 (1) | 0 | 0 | 0 |
O(2) | 8g | ¼ | ¼ | −0.0269 (2) | 0.963 (9) | 1.60 (8) | 2.1 (2) | 1.90 (9) | −0.91(6) | 0 | 0 |
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Eufrasio, A.M.; Pegg, I.; Kafle, A.; Wong-Ng, W.; Huang, Q.; Dutta, B. Metal–Insulator Transition in Doped Barium Plumbates. Electron. Mater. 2021, 2, 428-444. https://doi.org/10.3390/electronicmat2030029
Eufrasio AM, Pegg I, Kafle A, Wong-Ng W, Huang Q, Dutta B. Metal–Insulator Transition in Doped Barium Plumbates. Electronic Materials. 2021; 2(3):428-444. https://doi.org/10.3390/electronicmat2030029
Chicago/Turabian StyleEufrasio, Andreza M., Ian Pegg, Amrit Kafle, Winnie Wong-Ng, Qingzhen Huang, and Biprodas Dutta. 2021. "Metal–Insulator Transition in Doped Barium Plumbates" Electronic Materials 2, no. 3: 428-444. https://doi.org/10.3390/electronicmat2030029