Polarons and transport in a half-doped lanthanum–calcium manganite with low nonstoichiometric transition-metal ion content
DOI (Low Temperature Physics):
https://doi.org/10.1063/10.0046905Ключові слова:
polaron, electron concentration, chemical potential, spectral density, ferromagnetismАнотація
The influence of local electron–phonon interaction on the formation of long-range order and electron dynamics in lanthanum–calcium manganite in the first non-vanishing approximation with respect to the inverse effective radius of the interaction of the time-dependent perturbation theory is considered. This work contains a detailed analysis of the relationship between charge and spin degrees of freedom in strongly correlated electronic systems that is important in understanding the mechanism of high-temperature superconductivity. It is shown that con sistent consideration of correlation contributions from strong electron–electron and electron–phonon interactions describes the dynamic phenomena in manganites correctly. The presented theory gives zeroth spectral density at the chemical potential level that allows studying the fine structure of polaron excitations. A sharp increase in conductivity below the ferromagnetic ordering temperature has been observed. It is assumed that this phenomenon is associated with the appearance of intermediate-sized mobile polarons in a certain temperature area. Using the lanthanum–calcium manganite with a weak nonstoichiometric content of iron ions as an example, a comparison of theoretical and experimental results has been made.
Посилання
1. X. Liang and H. Chen, and N. X. Sun, APL Mater. 9, 041114 (2021). https://doi.org/10.1063/5.0044532
2. A. Kitanovski, J. Tušek, U. Tomc, U. Plaznik, M. Ožbolt, and A. Poredoš, Magnetocaloric Energy Conversion (Springer International Publishing, Switzerland, 2015).
3. J. B. Gibson, A. C. Hire, P. M. Dee, O. Barrera, B. Geisler, P. J. Hirschfeld, and R. G. Hennig, “Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function,” npj Comput. Mater. 11, Art. number 7 (2025). https://doi.org/10.1038/s41524-024-01475-4
4. W. E. Pickett, “Room temperature superconductivity: The roles of theory and materials design,” Rev. Mod. Phys. 95, 021001 (2023). https://doi.org/10.1103/RevModPhys.95.021001
5. D. M. Edwards, “Ferromagnetism and electron-phonon coupling in the manganites,” Adv. Phys. 51, 1259 (2002). https://doi.org/10.1080/00018730210140805
6. D. M. Edwards, A. C. M. Green and K. Kubo, “Electronic structure and resistivity of the double exchange model,” J. Phys.: Condens. Matter 11, 2791 (1999). https://doi.org/10.1088/0953-8984/11/13/014
7. T. Egami, “Electron correlation and high-temperature superconductivity,” Condens. Matter 11, 4 (2026). https://doi.org/10.3390/condmat11010004
8. A. J. Millis, R. Mueller, and B. Shraiman, “Fermi-liquid-to-polaron crossover. II. double exchange and the physics of colossal magnetoresistance,” Phys. Rev. B 54, 5405 (1996). https://doi.org/10.1103/PhysRevB.54.5405
9. T. Holstein, “Studies of polaron motion, part I. The molecular-crystal model,” Ann. Phys. 8, 325 (1959). https://doi.org/10.1016/0003-4916(59)90002-8
10. E. L. Nagaev, “Polarons and isotope effect in manganites,” Phys. Lett. A 258, 65 (1999). https://doi.org/10.1016/S0375-9601(99)00293-5
11. A. S. Alexandrov, and A. M. Bratkovsky, “Theory of colossal magnetoresistance in doped manganites,” J. Phys.: Condens. Matter 11, 1989 (1999). https://doi.org/10.1088/0953-8984/11/8/012
12. C. N. R. Rao, “Charge, spin, and orbital ordering in the perovskite manganates, Ln1–xAxMnO3 (Ln = rare earth, A = Ca or Sr),” J. Phys. Chem. B 104, 5877 (2000). https://doi.org/10.1021/jp0004866
13. E. E. Zubov, V. P. Dyakonov, and H. Szymczak, “Diagrammatic method for the theory of magnetic and resistive properties of manganites,” J. Phys.: Condens. Matter 18, 6699 (2006). https://doi.org/10.1088/0953-8984/18/29/011
14. E. E. Zubov, “High-temperature superconductivity and normal state in the Holstein-t-J model,” Physica C 497, 67 (2014). https://doi.org/10.1016/j.physc.2013.11.005
15. J. M. González-Calbet, E. Herrero, N. Rangavittal, J. M. Alonso, J. L. Martínez, and M. Vallet-Regí, “Ordering of oxygen vacancies and magnetic properties in La0.5Ca0.5MnO3−δ (0 ≤ δ ≤ 0.5),” J. Solid State Chem. 148, 158 (1999). https://doi.org/10.1006/jssc.1999.8441
16. K. Momma and F. Izumi, “VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data,” J. Appl. Crystallogr. 44, 1272 (2011). https://doi.org/10.1107/S0021889811038970
17. P. Giannozzi, S. Baroni, N. Bonini et al, “Quantum ESPRESSO: A modular and open-source software project for quantum simulations of materials,” J. Phys.: Condens. Matter 21, 395502 (2009). https://doi.org/10.1088/0953-8984/21/39/395502
18. P. Giannozzi, O. Andreussi, T. Brumme ., “Advanced capabilities for materials modelling with quantum ESPRESSO,” J. Phys.: Condens. Matter 29, 465901 (2017). https://doi.org/10.1088/1361-648X/aa8f79
19. I. G. Lang and Yu. A. Firsov, “Kinetic theory of semiconductors with low mobility,” Zh. Exp. Teor. Fiz. 43, 1843 (1962) [Sov. Phys. JETP 16, 1301 (1963)].
20. E. E. Zubov and E. S. Zhitlukhina, Effective field approach to transition-metal oxide systems: Magnetism, transport and spectral properties, Vasyl’ Stus DonNU, Vinnytsia, ISBN 978-966-949-157-2 (2019) (see also https://arxiv.org/abs/1903.05180).
21. D. Hsing-Yen and Y.-Li Wang, “Green’s-function diagrammatic technique for complicated level systems,” Phys. Rev. B 10, 4714 (1974). https://doi.org/10.1103/PhysRevB.10.4714
22. A. Bhaskar, M.-S. Huang, and Chia-Jyi Liu, “Effects of Fe doping on the thermal hysteresis of the La0.5Ca0.5MnO3,” RSC Adv. 7, 11543 (2017). https://doi.org/10.1039/C6RA27974K
23. R. S. Freitas, L. Ghivelder, J. Sacanell, P. Levy, and F. Parisi, “Magnetoresistance in phase-separated La0.5Ca0.5MnO3 manganite,” JMMM 272–276, 1745 (2004). https://doi.org/10.1016/j.jmmm.2003.12.739
