Comprehensive analysis of Sr2LaRuO6 double perovskite: DFT, phenomenological magnetic modeling, descriptor-based stability screening, and analytical thermoelectric analysis
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OpenAlex topics: Advanced Condensed Matter Physics · Magnetic and transport properties of perovskites and related materials · Heusler alloys: electronic and magnetic properties
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References (70)
Show source-provided references
1. Ceramic perovskites via sol-gel processing: progress, challenges, and applications10.1007/s10971-025-06948-6 ↗
2. The perovskite optoelectronic devices – a look at the future
3. Electronic, magnetic and optical properties of double perovskite compounds: a first principle approach10.3390/cryst12111597 ↗
4. Structural, electronic, magnetic and optical properties of a novel double perovskite Ba2GdRuO6
5. Theoretical investigation of physical properties of Sr2XNbO6 (X = La, Lu) double perovskite oxides for optoelectronic and thermoelectric applications10.1002/er.7862 ↗
6. Structural and electronic properties of double perovskite ruthenates; A2GdRuO6 (where A = Ba, Sr)10.1016/j.jallcom.2022.165177 ↗
7. Evolution of the valence state of Ru metal ions in correlation with the structural and electronic properties of double perovskite ruthenates; A2SmRuO6 (where A = Ba & Sr)10.1039/D2TC05072B ↗
8. Magnetic and neutron diffraction study on the ordered perovskite Sr2HoRuO610.1039/a909096g ↗
9. Magnetization and heat capacity studies of double perovskite compounds Ba2SmRuO6 and Ba2DyRuO610.1016/j.physb.2009.04.046 ↗
10. Electronic and magnetic ground state of 4d3 double perovskite ruthenates A2LaRuO6 (A = Ca, Sr, Ba)
11. Alawaideh, First-principles study of A-site cation effects in halide double perovskites A2NaMoI6 (A = Cs, Rb) for photovoltaic applications10.1007/s10971-025-06713-9 ↗
12. Unlocking Stability and Efficiency in Double Inorganic Halide Perovskite Cs2KMoX6 (X = Cl, I) Materials Through First Principles Study10.1007/s10904-024-03529-y ↗
13. First-principles investigation of A2GeBeBr6 (A = Rb, K) halide double perovskites for advanced optoelectronic and photonic devices
14. Structural and magnetic properties of the ruthenium double perovskites Ba2-xSrxYRuO610.1039/C4DT03682D ↗
15. Planewave pseudopotential methods
16. Linear methods in band theory10.1103/PhysRevB.12.3060 ↗
17. Inhomogeneous Electron Gas10.1103/PhysRev.136.B864 ↗
18. Self-Consistent Equations Including Exchange and Correlation Effects10.1103/PhysRev.140.A1133 ↗
19. WIEN2k: An APW + lo program for calculating the properties of solids10.1063/1.5143061 ↗
20. Pair-distribution function and its coupling-constant average for the spin-polarized electron gas10.1103/PhysRevB.46.12947 ↗
21. Generalized Gradient Approximation Made Simple10.1103/PhysRevLett.77.3865 ↗
22. A simple effective potential for exchange10.1063/1.2213970 ↗
23. Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential10.1103/PhysRevLett.102.226401 ↗
24. Merits and limits of the modified Becke-Johnson exchange potential10.1103/PhysRevB.83.195134 ↗
25. Improving the modified Becke-Johnson exchange potential10.1103/PhysRevB.85.155109 ↗
26. BoltzTraP. A code for calculating band-structure dependent quantities10.1016/j.cpc.2006.03.007 ↗
27. A DFT insight of the electronic, thermodynamic, and thermoelectric properties of RuO₂10.1088/2516-1075/ad5b33 ↗
28. Prediction and Screening of Lead-Free Double Perovskite Photovoltaic Materials Based on Machine Learning10.3390/molecules30112378 ↗
29. Hierarchical symbolic regression modeling and physical mechanism study of Stokes shift of Cr3+-activated double perovskite phosphors10.1016/j.jlumin.2025.121607 ↗
30. Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys10.1021/acs.chemmater.5b04107 ↗
31. On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system10.1039/C5SC04845A ↗
32. New tolerance factor to predict the stability of perovskite oxides and halides
33. Improving thermodynamic stability of double perovskites with machine learning: The role of cation composition10.1016/j.solener.2024.112839 ↗
34. Optimal band structure for thermoelectrics with realistic scattering and bands10.1038/s41524-021-00512-w ↗
35. Persson, commentary: The materials project: A materials genome approach to accelerating materials innovation10.1063/1.4812323 ↗
36. DFT study of the novel double perovskite Sr2PrRuO6: structural, electronic, optical, magnetic, and thermoelectric properties10.1140/epjb/s10051-025-00887-5 ↗
37. Future Insights into Double Perovskites Ba2AlTMO6 (TM = W, Re, and Os) for Sustainable and Clean Energy Production: A DFT Investigation Using GGA, TB-mBJ, and HSE06 Methods10.1007/s10904-024-03584-5 ↗
38. Die Gesetze der Krystallochemie10.1007/BF01507527 ↗
39. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data10.1107/S0021889811038970 ↗
40. The Compressibility of Media under Extreme Pressures10.1073/pnas.30.9.244 ↗
41. Khaireddine
42. Competing multipolar orders in a face-centered cubic lattice: Application to the osmium double perovskites
43. Magnetic phase transitions and mixed spin in double perovskite Sr₂FeMoO₆10.1088/1742-5468/ade134 ↗
44. Newman · 1999
45. Magnetic properties of the double perovskite ruthenate compound Sr₂YRuO₆10.1088/1674-1056/ab3441 ↗
46. Spectroscopy and electronic structure of Sr2YRuO6 and Sr2YRu0.75Ir0.25O610.1103/PhysRevB.94.045109 ↗
47. Magnetic and neutron diffraction studies on double perovskites A2LnRuO6 (A = Sr, Ba; Ln = Tm, Yb)10.1039/b301935g ↗
48. Non-collinear magnetic structure of the Sr2ErRuO6 double perovskite10.1016/j.progsolidstchem.2007.02.001 ↗
49. Review on spintronics: Principles and device applications10.1016/j.jmmm.2020.166711 ↗
50. Origin of the optical anisotropy and the electronic structure of Ru-based double perovskite oxides: DFT and XPS studies, RSC
51. Optoelectronic and thermoelectric transport phenomena in Sr2LaTaO6 and Sr2LuTaO6 double perovskites
52. Investigation of optical and magnetic properties of 3d-4d transition metal ion based double Perovskite: Sr2MnRuO610.1016/j.jmmm.2024.172258 ↗
53. Self-consistent field approach to the many-electron problem10.1103/PhysRev.115.786 ↗
54. Physical properties of the recently discovered Zr2(Al1−xBix)C MAX phases10.1007/s10854-016-5338-z ↗
55. The Collected Papers of H. A. Kramers10.1038/178337b0 ↗
56. On the theory of dispersion of X-Rays10.1364/JOSA.12.000547 ↗
57. Linear optical properties of solids within the full-potential linearized augmented planewave method10.1016/j.cpc.2006.03.005 ↗
58. Wave-Number-Dependent Dielectric Function of Semiconductors10.1103/PhysRev.128.2093 ↗
59. Theoretical investigation of Rb2AuBiX6 (X = Br, cl, F) double perovskite for thermoelectric and optoelectronic applications10.1016/j.jpcs.2024.111890 ↗
60. Study of optical and thermoelectric properties of double perovskites Cs2KTlX6 (X = Cl, Br, I) for solar cell and energy harvesting10.1016/j.mtcomm.2022.104083 ↗
61. The evolution and future of metal halide perovskite-based optoelectronic devices10.1016/j.matt.2021.10.026 ↗
62. A comprehensive review of thermoelectric technology: Materials, applications, modeling and performance improvement10.1016/j.rser.2016.07.034 ↗
63. A review of recent progress in thermoelectric materials through computational methods10.1007/s40243-020-00175-5 ↗
64. An analytic study of the Wiedemann–Franz law and the thermoelectric figure of merit
65. Improving the thermoelectric figure of merit10.1080/14686996.2021.1903816 ↗
66. A review on the enhancement of figure of merit from bulk to nano-thermoelectric materials10.1016/j.nanoen.2012.10.005 ↗
67. The Thermal Conductivity of Nonmetallic Crystals10.1016/S0081-1947(08)60359-8 ↗
68. High-throughput computational evaluation of lattice thermal conductivity using an optimized Slack model10.1039/D2MA00694D ↗
69. On the Debye temperature in the Slack approximation for an estimation of the thermal conductivity of nonmetallic compounds10.1063/1.2148625 ↗
70. Thermoelectric transport effects beyond single parabolic band and acoustic phonon scattering10.1039/D1MA00780G ↗