All Stories

  1. Exploring stability, mechanical, electronic, magnetic, thermoelectric, and thermodynamic properties of double perovskite Ba2PmSbO6: A first-principles investigation

    Article • Computational Condensed Matter, October 2026, Elsevier

    Messaoud Caid

  2. From LaAlO3 insulator to multifunctional perovskite: DFT insights into europium-enhanced spin, optical, and elastic properties

    Article • Journal of Materials Science, April 2026, Springer Science + Business Media

    Messaoud Caid

  3. A Combined First‐Principles and Machine Learning Framework for XMnH 3 (X = Li, Na, K) Perovskite Hydrides: Hydrogen Storage Capacity and Stability Under Extreme Conditions

    Article • Advanced Theory and Simulations, March 2026, Wiley

    Messaoud Caid

  4. First‐Principles Study of Double Perovskite Hydrides Cs 2 RbAlH 6 and Rb 2 CaNiH ...

    Article • Advanced Theory and Simulations, February 2026, Wiley

    Dr. Dibya Prakash Rai, Messaoud Caid

  5. First-Principles Insights into Ba2PmMoO6: A Prominent Material for Energy Applications

    Article • Computational Condensed Matter, January 2026, Elsevier

    Messaoud Caid

  6. First-principles calculations to investigate structural, elastic, electronic, magnetic, and optical properties of half-Heusler alloys RhVZ (Z = Bi, Te, Tl): using GGA and TB-mBJ potentials

    Article • Indian Journal of Physics, December 2025, Springer Science + Business Media

    Messaoud Caid

  7. Computational Design of M 4 GaC 3 (M = V, Nb, Ta) MAX‐Phases: Stability, Mechanical Strength, and Optical Response Under High Pressure and Temperature

    Article • Advanced Theory and Simulations, November 2025, Wiley

    Messaoud Caid

  8. Exploring the potential of Rb2XYH6 (XY = AlTl, NaGa, NaTl) double perovskite hydrides for hydrogen storage and energy harvesting via DFT

    Article • International Journal of Hydrogen Energy, October 2025, Elsevier

    Messaoud Caid

  9. Multifunctional properties of ZrPdSn half-Heusler alloy: A first-principles study for sustainable technologies

    Article • AIP Advances, October 2025, American Institute of Physics

    Messaoud Caid

  10. Pb2CoMoO6 as a Promising Energy Material: A First-Principles Perspective

    Article • Journal of Inorganic and Organometallic Polymers and Materials, July 2025, Springer Science + Business Media

    Messaoud Caid

  11. Lead‐Free Cs2(Cd/Sn)BeCl6 Halide Double Perovskites: A Comprehensive First‐Principles Study of Structural, Optoelectronic, and Thermoelectric Properties for Sustainable Energy Applications

    Article • physica status solidi (b), July 2025, Wiley

    Messaoud Caid

  12. Computational insights into α‐M 4 GaC 3 (M = Ti, Zr, and Hf) MAX‐phases: Stability, properties, and applications

    Article • Journal of the American Ceramic Society, July 2025, Wiley

    Dr. Dibya Prakash Rai, Messaoud Caid

  13. Revealing the structural, elastic, magneto-electronic and thermoelectric properties of Sc2VIn full-Heusler alloy via DFT+U calculations

    Article • Indian Journal of Physics, June 2025, Springer Science + Business Media

    Messaoud Caid

  14. Physical characteristics of Pb2FeSbO6 double perovskite for thermoelectric applications

    Article • Physica B Condensed Matter, June 2025, Elsevier

    Messaoud Caid

  15. Unveiling the Potential of Ba2Zn5As6 and Ba2Zn5Sb6: A Comprehensive DFT Study

    Article • Advanced Theory and Simulations, March 2025, Wiley

    Messaoud Caid

  16. Effects of Cr Doping on the Physical Properties of Ga1−xCrxAs Alloys: An Ab Initio Study

    Article • physica status solidi (b), March 2025, Wiley

    Messaoud Caid

  17. Lead‐Free Na2ZrTeO6 Double Perovskite: A Promising Candidate for High‐Temperature and Optoelectronic Applications

    Article • Advanced Theory and Simulations, February 2025, Wiley

    Messaoud Caid

  18. 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 Methods

    Article • Journal of Inorganic and Organometallic Polymers and Materials, January 2025, Springer Science + Business Media

    Messaoud Caid

  19. First-Principles Investigation of the Electronic and Magnetic Properties of RhCo-Based Quaternary Heusler Alloys

    Article • Journal of Superconductivity and Novel Magnetism, January 2025, Springer Science + Business Media

    Messaoud Caid

  20. DFT assessment on the future prospects of inorganic lead-free halide double perovskites Cs2ABI6 (AB: GeZn, SnBe) for energy conversion technologies

    Article • Computational Condensed Matter, December 2024, Elsevier

    Messaoud Caid

  21. Investigation of structural, elastic, electronic, and optical properties of lead-free double perovskites Cs2XBeBr6 (X = Ge, Sn): a first-principles DFT study

    Article • Journal of Molecular Modeling, September 2024, Springer Science + Business Media

    Messaoud Caid

  22. The electronic structures, half-metallic ferromagnetism, optical, and thermoelectric responses of the Co-doped Au2S chalcogenide compound

    Article • Computational Condensed Matter, September 2024, Elsevier

    Messaoud Caid

  23. Comprehensive exploration of halide double perovskites Cs2BʹGeCl6 (Bʹ: Zn, Cd) for affordable energy technologies: a high-throughput investigation

    Article • Opto-electronics, May 2024, Springer Science + Business Media

    Messaoud Caid

  24. A Density Functional Theory Exploration of Cs2B′B″I6 (B′B″: BeCa, BeSr, GeCd, GeBe, GeMg) Halide Double Perovskites for Optimal Solar Cell and Renewable Energy Applications

    Article • physica status solidi (b), April 2024, Wiley

    Messaoud Caid

  25. Exploring the versatile properties of Cs2BʹGeF6 (Bʹ: Sn, Pb) double perovskites: Insights into their mechanical stability, optoelectronic potential, and high thermoelectric performance

    Article • Physica B Condensed Matter, March 2024, Elsevier

    Messaoud Caid

  26. Structural, elastic, electronic, and optical properties of lead-free halide double perovskites Cs2BꞌBꞌꞌBr6 (BꞌBꞌꞌ: BeMg, CdBe, CdGe, GeMg, GeZn, MgZn): Ab initio calculations

    Article • Journal of Molecular Modeling, February 2024, Springer Science + Business Media

    Messaoud Caid

  27. First principles study of the structural, elastic, magneto-electronic and thermoelectric properties of double perovskite Ba2ZrFeO6 in ferrimagnetic phase

    Article • Computational Condensed Matter, December 2023, Elsevier

    Messaoud Caid

  28. A comprehensive computational investigation of the physical properties of the novel quaternary Heusler alloys TiZrRhX (X = Al, Ga)

    Article • Pramana, November 2023, Springer Science + Business Media

    Messaoud Caid

  29. Theoretical insight into the stability, magneto-electronic and thermoelectric properties of V2MnAs Heusler alloy

    Article • Indian Journal of Physics, September 2023, Springer Science + Business Media

    Messaoud Caid

  30. The half-metallic ferromagnetic and thermoelectric responses of the potential thermo-spintronic compounds CrTiRhZ (Z: Al or Si) QHA

    Article • Indian Journal of Physics, September 2023, Springer Science + Business Media

    Messaoud Caid

  31. DFT calculations on physical properties of the lead-free halide-based double perovskite compound Cs2CdZnCl6

    Article • Solid State Communications, September 2023, Elsevier

    Messaoud Caid

  32. Theoretical insight of stabilities and optoelectronic properties of double perovskite Cs2CuIrF6: Ab-initio calculations

    Article • Journal of Molecular Modeling, May 2023, Springer Science + Business Media

    Messaoud Caid

  33. DFT assessment on stabilities, electronic and thermal transport properties of CoZrSb1−xBix half-Heusler alloys and their superlattices

    Article • The European Physical Journal Plus, April 2023, Springer Science + Business Media

    Messaoud Caid

  34. Effects of stacking periodicity on the structural, electronic, optical and thermoelectric properties of GaSb/InSb superlattices

    Article • Materials Science in Semiconductor Processing, March 2023, Elsevier

    Messaoud Caid

  35. Probing the effect of different exchange-correlation functionals on the optoelectronic features of chalcogenide compound Ag2O

    Article • Revista Mexicana de Física, January 2023, Sociedad Mexicana de Fisica A C

    Messaoud Caid

  36. Novel semiconductor compounds XZrZ (X =Ni, Cu and Z=C, B) suitable for clean energy in optoelectronic and thermoelectric devices

    Article • Computational Condensed Matter, September 2022, Elsevier

    Messaoud Caid

  37. The Stability and Electronic and Thermal Transport Properties of New Tl‐Based MAX‐Phase Compound Ta2TlX (X: C or N)

    Article • physica status solidi (b), July 2022, Wiley

    Messaoud Caid

  38. The stability analysis and efficiency of the new MAX-phase compounds M3GaC2 (M: Ti or Zr): A first-principles assessment

    Article • Results in Physics, July 2022, Elsevier

    Messaoud Caid

  39. An extensive computational report on the quinary alloys Cu2Zn1−xCdxSnS4 for the solar cell systems: DFT simulation

    Article • Computational Condensed Matter, June 2022, Elsevier

    Messaoud Caid

  40. Magneto-electronic and thermoelectric properties of V-based Heusler in ferrimagnetic phase

    Article • Applied Physics A, May 2022, Springer Science + Business Media

    Messaoud Caid

  41. Theoretical Insight into the Stability, Magneto-electronic and Thermoelectric Properties of XCrSb (X: Fe, Ni) Half-Heusler Alloys and Their Superlattices

    Article • Journal of Superconductivity and Novel Magnetism, January 2022, Springer Science + Business Media

    Messaoud Caid

  42. Electronic structure of short-period ZnSe/ZnTe superlattices based on DFT calculations

    Article • Condensed Matter Physics, January 2022, Institute for Condensed Matter Physics

    Messaoud Caid

  43. A comprehensive computational investigations on the physical properties of TiXSb (X: Ru, Pt) half‐Heusler alloys and Ti2RuPtSb2 double half‐Heusler

    Article • International Journal of Quantum Chemistry, December 2021, Wiley

    Messaoud Caid

  44. High-throughput study of the structural, electronic, and optical properties of short-period (BeSe)m/(ZnSe)n superlattices based on DFT calculations

    Article • Computational Condensed Matter, December 2021, Elsevier

    Messaoud Caid

  45. Heterotopic Ossification Following Direct Anterior Total Hip Arthroplasty With and Without Postoperative Analgesic Nonsteroidal Anti-inflammatories

    Article • The Journal of Arthroplasty, October 2021, Elsevier

    Messaoud Caid

  46. Theoretical insight of stabilities and optoelectronic features of Ru-based Heusler alloys: Ab-initio calculations

    Article • Computational Condensed Matter, September 2021, Elsevier

    Messaoud Caid

  47. Electronic structure and optoelectronic behavior of MgPbP2 chalcopyrite

    Article • Computational Condensed Matter, June 2021, Elsevier

    Messaoud Caid

  48. The half metallic behavior at high temperature of highly spin-polarized V-based Heusler alloy: DFT calculations

    Article • Zeitschrift für Physik B Condensed Matter and Quanta, May 2021, Springer Science + Business Media

    Messaoud Caid

  49. Electronic, optical, magnetic and thermoelectric properties of CsNiO$$_{\mathrm {\mathbf {2}}}$$ and CsCuO$$_{\mathrm {2}}$$: Insights from DFT-based computer simulation

    Article • Pramana, April 2021, Springer Science + Business Media

    Messaoud Caid

  50. Investigation of Structural, Elastic, Electronic, Magnetic and Thermoelectric Proprieties for Mn2RhZ (Z = Al, Si and Ge) Full-Heusler Alloys

    Article • International Journal of Thermophysics, April 2021, Springer Science + Business Media

    Messaoud Caid

  51. Structural, electronic and optical properties of PtSe2-InSe van der Waals heterostructures

    Article • January 2021, Center for Open Science

    Messaoud Caid

  52. First‐principles calculations to investigate structural stabilities, mechanical and optoelectronic properties of NbCoSn and NbFeSb half‐Heusler compounds

    Article • International Journal of Quantum Chemistry, December 2020, Wiley

    Messaoud Caid

  53. Insight into the structural, electronic, mechanical and optical properties of inorganic lead bromide perovskite APbBr3 (A = Li, Na, K, Rb, and Cs)

    Article • Computational Condensed Matter, September 2020, Elsevier

    Messaoud Caid

  54. Ab Initio Investigation of Structural, Electronic, Magnetic and Mechanical Properties of Fe2NiAl1−xGaxNew Heusler Alloys

    Article • SPIN, August 2020, World Scientific Pub Co Pte Lt

    Messaoud Caid

  55. First-principles calculations to investigate structural, electronic and optical properties of (AlSb)m/(GaSb)n superlattices

    Article • Materials Science-Poland, August 2020, De Gruyter

    Messaoud Caid

  56. Computational study of structural, electronic, magnetic and optical properties of (ZnTe)m/(MnTe)n superlattices

    Article • Journal of Magnetism and Magnetic Materials, April 2020, Elsevier

    Messaoud Caid

  57. Full potential study of the structural, electronic and optical properties of (InAs)m/(GaSb)n superlattices

    Article • Computational Condensed Matter, December 2019, Elsevier

    Messaoud Caid

  58. Investigation on structural, electronic, optical and elastic properties of thallium phosphide and gallium phosphide binary compounds and their ternary alloys and superlattices

    Article • Computational Condensed Matter, December 2018, Elsevier

    Messaoud Caid

  59. Magneto-electronic, mechanical and thermodynamic properties of full-Heusler alloys Cr2GdGe1-xSnx

    Article • Journal of Alloys and Compounds, April 2018, Elsevier

    Messaoud Caid

  60. Electronic structure and optical properties of (BeTe)n/(ZnSe)m superlattices

    Article • Materials Science-Poland, March 2016, De Gruyter

    Messaoud Caid