journal article·2026-07

Interface-driven optical and electronic properties of NdCrO₃ perovskite: combined experimental and DFT study

Wiem Boujelbene, A. Ben Jazia Kharrat, W. Boujelben

Applied Physics A· Volume 132· Issue 7
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OpenAlex topics: Heusler alloys: electronic and magnetic properties · Pigment Synthesis and Properties · Copper-based nanomaterials and applications

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References (39)

Show source-provided references
1. W. Boujelbene, R. Mguedla, A. Ben Jazia Kharrat, N. Chniba-Boudjada, K. Khirouni, S. Kammoun, W. Boujelben, Synthesis, structural and optical properties of a new orthochromite compound prepared by sol–gel method. J. Mater. Sci. Mater. Electron. 36, 936 (2025)10.1007/s10854-025-14980-z ↗
2. M.A. Peña, J.L.G. Fierro, Chemical structures and performance of perovskite oxides. Chem. Rev. 101, 1981–2018 (2001)10.1021/cr980129f ↗
3. G. Catalan, Progress in perovskite nickelate research. Phase Transitions 81, 729–749 (2008)10.1080/01411590801992463 ↗
4. S. Geller, Crystallographic studies of perovskite-like compounds. IV. Rare earth scandates, vanadites, galliates, orthochromites. Acta Crystallogr. 10, 243–248 (1957)10.1107/S0365110X57000778 ↗
5. J.B. Goodenough, Magnetism and the Chemical Bond (Interscience, New York, 1963)
6. H. Yokoyama et al., Optical properties of perovskite oxides. Phys. Rev. B 68, 155103 (2003)10.1103/PhysRevB.68.155103 ↗
7. K. Khirouni et al., Structural and optical properties of RECrO₃ compounds. J. Alloys Compd. 509, 2413–2417 (2011)
8. S. Kammoun et al., Optical investigation of rare-earth chromites. J. Phys. Chem. Solids. 73, 1471–1476 (2012)
9. F. Urbach, The long-wavelength edge of photographic sensitivity. Phys. Rev. 92, 1324 (1953)10.1103/PhysRev.92.1324 ↗
10. N.F. Mott, E.A. Davis, Electronic Processes in Non-Crystalline Materials (Oxford University Press, 1979)
11. J. Tauc, Optical properties and electronic structure of amorphous Ge and Si. Mater. Res. Bull. 3, 37–46 (1968)10.1016/0025-5408(68)90023-8 ↗
12. S. Elliott, Physics of amorphous materials (Longman, 1990)
13. A.K. Zak et al., Effect of defects on optical properties. Ceram. Int. 37, 393–398 (2011)10.1016/j.ceramint.2010.08.017 ↗
14. P. Hohenberg, W. Kohn, Inhomogeneous electron gas. Phys. Rev. 136, B864 (1964)10.1103/PhysRev.136.B864 ↗
15. W. Kohn, L.J. Sham, Self-consistent equations including exchange and correlation. Phys. Rev. 140, A1133 (1965)10.1103/PhysRev.140.A1133 ↗
16. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996)10.1103/PhysRevLett.77.3865 ↗
17. V.I. Anisimov et al., Band theory and Mott insulators (GGA + U). Phys. Rev. B 44, 943 (1991)10.1103/PhysRevB.44.943 ↗
18. G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations. Phys. Rev. B 54, 11169 (1996)10.1103/PhysRevB.54.11169 ↗
19. S. Lany, A. Zunger, Defect physics in semiconductors. Phys. Rev. B 78, 235104 (2008)10.1103/PhysRevB.78.235104 ↗
20. C. Freysoldt et al., First-principles calculations for defects. Rev. Mod. Phys. 86, 253 (2014)10.1103/RevModPhys.86.253 ↗
21. R.D. Shannon, Revised ionic radii. Acta Crystallogr. A32, 751 (1976)10.1107/S0567739476001551 ↗
22. J. Goldschmidt, Geochemische Verteilungsgesetze (Skrifter Norske Videnskaps-Akademi, 1926)
23. A.L. Patterson, The Scherrer formula for crystallite size. Phys. Rev. 56, 978 (1939)10.1103/PhysRev.56.978 ↗
24. G.K. Williamson, W.H. Hall, X-ray line broadening from filed aluminium and wolfram. Acta Metall. 1, 22 (1953)10.1016/0001-6160(53)90006-6 ↗
25. M. Fox, Optical Properties of Solids (Oxford University Press, 2001)
26. P. Yu, M. Cardona, Fundamentals of Semiconductors (Springer, 2010)10.1007/978-3-642-00710-1 ↗
27. A. Janotti, C.G. Van de Walle, Oxygen vacancies in oxides. Rep. Prog Phys. 72, 126501 (2009)10.1088/0034-4885/72/12/126501 ↗
28. S. Lany, Defect physics in functional oxides. J. Phys. : Condens. Matter. 27, 283203 (2015)
29. X. Chen et al., Photocatalytic materials and mechanisms. Chem. Rev. 110, 6503 (2010)10.1021/cr1001645 ↗
30. H. Tang et al., Band gap engineering in oxides. Appl. Phys. Lett. 72, 1369 (1998)
31. J. Zhou, J.Y. Lu, Z.X. Xie, D.H. Wang, B.S. He, W.T. Huang, Multifunctional Au–Ag–Cr nanocomposites: from multiplex sensing and advanced logic computing to scalable information protection. Research. 8, 0763 (2025)10.34133/research.0763 ↗
32. B. Gul, M.S. Khan, A.A. Ifseisi, H. Ahmad, First-principles study of potassium-based novel chalcogenide materials for optoelectronic and thermoelectric devices. Phys. Scr. 98, 115927 (2023)10.1088/1402-4896/acfeaa ↗
33. X. Qin, H. Cui, Q. Zhou, Physisorption behaviors of organochlorine pesticides on the InP₃ monolayer from theoretical insight. ACS Omega. 8, 32168–32175 (2023)10.1021/acsomega.3c04665 ↗
34. K. Yu et al., Computational investigation of a 3D-printed osteochondral interface scaffold with comprehensive interfacial mechanical properties. Int. J. Bioprint. 11(2), 8577 (2025)10.36922/ijb.8577 ↗
35. J. Du et al., Influence of a Nb interlayer on the oxidation behavior of a Cr coating deposited on Inconel 718 alloy substrate. J. Mater. Res. Technol. 39, 9283–9297 (2025)10.1016/j.jmrt.2025.11.197 ↗
36. H. Yang, F. Wang, H. Zhang, L. Guo, L. Hu, L. Wang, D.-J. Xue, X. Xu, Solution synthesis of layered van der Waals (vdW) ferromagnetic CrGeTe₃ nanosheets from a non-vdW Cr₂Te₃ template. J. Am. Chem. Soc. 142(9), 4438–4444 (2020)10.1021/jacs.9b13492 ↗
37. X. Chen, L. Yan, H. Zhang, Y. Tong, W. Sang, H. Zhang, Z. Liu, D. Zhang, M. Zhang, Thermophysical and mechanical performances of (Nd₀.₂Sm₀.₂Gd₀.₂Yb₀.₂Y₀.₂)₃TaO₇ and (Nd₀.₂Sm₀.₂Gd₀.₂Yb₀.₂Y₀.₂)₃Ta₀.₅Nb₀.₅O₇ high-entropy compounds. J. Alloys Compd. 1039, 183097 (2025). https://doi.org/10.1016/j.jallcom.2025.18309710.1016/j.jallcom.2025.183097 ↗
38. A. Ali, M.S. Khan, M.R.I. Irfan, G. Khan, B. Gul, S. Azam, First-principles study of electronic, optical, magnetic, and thermoelectric properties of novel Sr₂UXO₆ (X = Mn, Zn) double perovskites. Chem. Phys. Lett. 835, 141019 (2024). https://doi.org/10.1016/j.cplett.2023.14101910.1016/j.cplett.2023.141019 ↗
39. T. Yao, Q. Fu, K. Wang, Y. Xu, L. Lin, S. Ma et al., Decoupling the effects of ruthenium sites and oxygen vacancies on the mechanism regulation of acidic water oxidation. ACS Nano 20(2), 2510 (2026). https://doi.org/10.1021/acsnano.5c2118510.1021/acsnano.5c21185 ↗