Integrating Experimental and Computational Insights: A Dual Approach to Ba2CoWO6 Double Perovskites Ramesh Kumar Raji, Tholkappiyan Ramachandran, Muthu Dhilip, Vivekanandan Aravindan, Joseph Stella Punitha, et al. Ceramics, 2024 Double perovskite materials have emerged as key players in the realm of advanced materials due to their unique structural and functional properties. This research mainly focuses on the synthesis and comprehensive characterization of Ba2CoWO6 double perovskite nanopowders utilizing a high-temperature conventional solid-state reaction technique. The successful formation of Ba2CoWO6 powders was confirmed through detailed analysis employing advanced characterization techniques. Rietveld refinement of X-ray diffraction (XRD) and Raman data established that Ba2CoWO6 crystallizes in a cubic crystal structure with the space group Fm-3m, indicative of a highly ordered perovskite lattice. The typical crystallite size, approximately 65 nm, highlights the nanocrystalline nature of the material. Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) discovered a distinctive morphology characterized by spherical shaped particles, suggesting a complex particle formation process influenced by synthesis conditions. To probe the electronic structure, X-ray Photoelectron Spectroscopy (XPS) identified cobalt and tungsten valence states, critical for understanding dielectric properties associated with localized charge carriers. The semiconducting character of the synthesized Ba2CoWO6 nanocrystalline material was confirmed through UV-Visible analysis, which revealed an energy bandgap value of 3.3 eV, which aligns well with the theoretical predictions, indicating the accuracy and reliability of the experimental results. The photoluminescence spectrum exhibited two distinct emissions in the blue-green region. These emissions were attributed to the transitions 3P0→3H4, 3P0→3H5, and 3P0→3H6, primarily resulting from the contributions of Ba2+ ions. The dielectric characteristics of the compound were analyzed across a different range of frequencies, spanning from 1 kHz to 1 MHz. Magnetic characterization using Vibrating Sample Magnetometry (VSM) revealed antiferromagnetic behavior of Ba2CoWO6 ceramics at room temperature, attributed to super-exchange interactions between Co3+ and W5+ ions mediated by oxygen ions in the perovskite lattice. Additionally, first-principles calculations based on the Generalized Gradient Approximation (GGA+U) with a modified Becke–Johnson (mBJ) potential were employed to gain a deeper understanding of the structural and electronic properties of the materials. This approach involved systematically varying the Hubbard U parameter to optimize the description of electron correlation effects. These results deliver an extensive understanding of the structural, optical, morphological, electronic, and magnetic properties of Ba2CoWO6 ceramics, underscoring their potential for electronic and magnetic device applications.
Efficient deep violet-blue emission and lattice vibrational characteristics of Nd2CoFeO6 double perovskite for multifunctional applications M Dhilip Journal of Materials Science: Materials in Electronics 37 (12), 945 , 2026 2026
Tailoring structural, optical, and electrochemical properties of Mn-doped SnS nanoparticles via a facile Co-precipitation route V Arumugam, P Elaiyaraja, M Dhilip, I Devadoss, A Krishnamoorthy, ... Materials Science in Semiconductor Processing 205, 110374 , 2026 2026 Citations: 1
Comprehensive structural insights into Disordered Tb2CoFeO6 Double Perovskites for optoelectronic functionality M Dhilip, A Sudhakaran, S Rameshkumar, AS Carmel Vacuum, 115207 , 2026 2026
Exploring Photoluminescence Properties of Fe-Doped Dy 2 O 3 for Enhanced Optoelectronics device Performance M Dhilip, RK Raji, KS Kumar, V Anbarasu 2025 IEEE 7th International Conference on Emerging Electronics (ICEE), 1-3 , 2025 2025 Citations: 1
Defect-State Engineering in Mn-Doped SnS: Urbach Tail-Driven Synergy of Optical Absorption and Electrochemical Charge Transfer V Arumugam, P Elaiyaraja, M Dhilip, I Devadoss, A Krishnamoorthy Journal of Alloys and Compounds, 185002 , 2025 2025 Citations: 1
Influence of Pr³⁺ substitution on the structural, optical, magnetic, and dielectric properties of Sr2FeTiO6− δ double perovskites JS Punitha, RK Raji, T Ramachandran, KS Kumar, M Dhilip, F Hamed, ... Solid State Sciences 160, 107825 , 2025 2025 Citations: 24
Integrating Experimental and Computational Insights: A Dual Approach to Ba 2 CoWO 6 Double Perovskites RK Raji, T Ramachandran, M Dhilip, V Aravindan, JS Punitha, F Hamed Ceramics 7 (4), 2006-2023 , 2024 2024 Citations: 28
Synthesis, growth, optical, mechanical, thermal, dielectric, and SHG properties of Triethylaminium picrate (TEAP) single crystal for nonlinear optical applications K Elangovan, KE Ingle, R Dhanasekaran, M Mahadevan, M Dhilip Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 308, 123680 , 2024 2024 Citations: 6
Combined experimental and theoretical investigation on the structural, electronic, magnetic and optical properties of Pr2CoFeO6 double perovskite M Dhilip, S Rameshkumar, RK Raji, T Ramachandran, JS Punitha, ... Materials Today Communications 38, 108120 , 2024 2024 Citations: 50
Influence of La 3+ substitution on the structural, magnetic and electrical characteristics of Sr 2 FeTiO 6 double perovskites JS Punitha, A Nataraj, V Anbarasu, M Dhilip, M Manikandan, KS Kumar Journal of Materials Science: Materials in Electronics 34 (19), 1462 , 2023 2023 Citations: 7
Dual-phase formation in LaFeO 3 upon doping of rare-earth Dy 3+ : Struct–Opto–Dielectric–Magnetic characteristics RK Raji, T Ramachandran, M Muralidharan, R Suriakarthick, M Dhilip, ... Journal of Materials Science: Materials in Electronics 33 (13), 10626-10644 , 2022 2022 Citations: 51
A novel double perovskite oxide Sm 2 CoFeO 6 phosphor for orange LEDs: structural, magnetic and luminescence properties M Dhilip, JS Punitha, R Rameshkumar, S Rameshkumar, P Karuppasamy, ... Applied Physics A 128 (4), 324 , 2022 2022 Citations: 39
Twitching the inherent properties: the impact of transition metal Mn-doped on LaFeO 3 -based perovskite materials RK Raji, T Ramachandran, M Muralidharan, R Suriakarthick, M Dhilip, ... Journal of Materials Science: Materials in Electronics 32 (20), 25528-25544 , 2021 2021 Citations: 73
Conventional synthesis of perovskite structured LaTi x Fe 1-x O 3 : A comprehensive evaluation on phase formation, opto-magnetic, and dielectric properties RK Raji, T Ramachandran, M Muralidharan, R Suriakarthick, M Dhilip, ... International Journal of Materials Research 112 (9), 753-765 , 2021 2021 Citations: 39
Synthesis and characterization of phase-stabilized Gd 2 FeMnO 6 double-Perovskite compound JS Punitha, A Nataraj, V Anbarasu, M Dhilip, KS Kumar Journal of Materials Science: Materials in Electronics 32 (8), 10266-10276 , 2021 2021 Citations: 12
Characterization of the structural, magnetic and Raman properties of 6f–4d double perovskite compound JS Punitha, KS Kumar, M Dhilip, V Anbarasu, A Nataraj AIP Conference Proceedings 2265 (1), 030526 , 2020 2020
Tweaking the red emission, magneto, and dielectrical properties of perovskite type-LaFeO 3 in the presence of Co substitution RK Raji, V Kurapati, T Ramachandran, M Muralidharan, R Suriakarthick, ... Journal of Materials Science: Materials in Electronics 31 (10), 7998-8014 , 2020 2020 Citations: 64
Intrinsic Magnetic and Ferroelectric Behaviour of Non-magnetic Al 3+ Ion Substituted Dysprosium Iron Garnet Compounds: Dhilip, K. Kumar, R. Kumar, and Anbarasu M Dhilip, K Saravana Kumar, R Ramesh Kumar, V Anbarasu Journal of Electronic Materials 48 (12), 8243-8253 , 2019 2019 Citations: 31
Conventional synthesis and characterization of cubically ordered La2FeMnO6 double perovskite compound M Dhilip, NA Devi, JS Punitha, V Anbarasu, KS Kumar Vacuum 167, 16-20 , 2019 2019 Citations: 61
Structural and magnetic properties of Fe, Mn based double perovskite La 2 FeMnO 6 compound JS Punitha, M Dhilip, V Anbarasu, KS Kumar AIP Conference Proceedings 2115 (1), 030468 , 2019 2019 Citations: 15
MOST CITED SCHOLAR PUBLICATIONS
Twitching the inherent properties: the impact of transition metal Mn-doped on LaFeO 3 -based perovskite materials RK Raji, T Ramachandran, M Muralidharan, R Suriakarthick, M Dhilip, ... Journal of Materials Science: Materials in Electronics 32 (20), 25528-25544 , 2021 2021 Citations: 73
Tweaking the red emission, magneto, and dielectrical properties of perovskite type-LaFeO 3 in the presence of Co substitution RK Raji, V Kurapati, T Ramachandran, M Muralidharan, R Suriakarthick, ... Journal of Materials Science: Materials in Electronics 31 (10), 7998-8014 , 2020 2020 Citations: 64
Conventional synthesis and characterization of cubically ordered La2FeMnO6 double perovskite compound M Dhilip, NA Devi, JS Punitha, V Anbarasu, KS Kumar Vacuum 167, 16-20 , 2019 2019 Citations: 61
Dual-phase formation in LaFeO 3 upon doping of rare-earth Dy 3+ : Struct–Opto–Dielectric–Magnetic characteristics RK Raji, T Ramachandran, M Muralidharan, R Suriakarthick, M Dhilip, ... Journal of Materials Science: Materials in Electronics 33 (13), 10626-10644 , 2022 2022 Citations: 51
Combined experimental and theoretical investigation on the structural, electronic, magnetic and optical properties of Pr2CoFeO6 double perovskite M Dhilip, S Rameshkumar, RK Raji, T Ramachandran, JS Punitha, ... Materials Today Communications 38, 108120 , 2024 2024 Citations: 50
A novel double perovskite oxide Sm 2 CoFeO 6 phosphor for orange LEDs: structural, magnetic and luminescence properties M Dhilip, JS Punitha, R Rameshkumar, S Rameshkumar, P Karuppasamy, ... Applied Physics A 128 (4), 324 , 2022 2022 Citations: 39
Conventional synthesis of perovskite structured LaTi x Fe 1-x O 3 : A comprehensive evaluation on phase formation, opto-magnetic, and dielectric properties RK Raji, T Ramachandran, M Muralidharan, R Suriakarthick, M Dhilip, ... International Journal of Materials Research 112 (9), 753-765 , 2021 2021 Citations: 39
Intrinsic Magnetic and Ferroelectric Behaviour of Non-magnetic Al 3+ Ion Substituted Dysprosium Iron Garnet Compounds: Dhilip, K. Kumar, R. Kumar, and Anbarasu M Dhilip, K Saravana Kumar, R Ramesh Kumar, V Anbarasu Journal of Electronic Materials 48 (12), 8243-8253 , 2019 2019 Citations: 31
Integrating Experimental and Computational Insights: A Dual Approach to Ba 2 CoWO 6 Double Perovskites RK Raji, T Ramachandran, M Dhilip, V Aravindan, JS Punitha, F Hamed Ceramics 7 (4), 2006-2023 , 2024 2024 Citations: 28
Influence of Pr³⁺ substitution on the structural, optical, magnetic, and dielectric properties of Sr2FeTiO6− δ double perovskites JS Punitha, RK Raji, T Ramachandran, KS Kumar, M Dhilip, F Hamed, ... Solid State Sciences 160, 107825 , 2025 2025 Citations: 24
Structural and magnetic properties of Fe, Mn based double perovskite La 2 FeMnO 6 compound JS Punitha, M Dhilip, V Anbarasu, KS Kumar AIP Conference Proceedings 2115 (1), 030468 , 2019 2019 Citations: 15
Synthesis and characterization of phase-stabilized Gd 2 FeMnO 6 double-Perovskite compound JS Punitha, A Nataraj, V Anbarasu, M Dhilip, KS Kumar Journal of Materials Science: Materials in Electronics 32 (8), 10266-10276 , 2021 2021 Citations: 12
Effect of transition metal ion substitution on structural and magnetic properties of Eu 2 O 3 sesquioxide system V Anbarasu, M Dhilip, K Saravana Kumar, K Sivakumar Journal of Materials Science: Materials in Electronics 28 (16), 12197-12206 , 2017 2017 Citations: 9
Influence of La 3+ substitution on the structural, magnetic and electrical characteristics of Sr 2 FeTiO 6 double perovskites JS Punitha, A Nataraj, V Anbarasu, M Dhilip, M Manikandan, KS Kumar Journal of Materials Science: Materials in Electronics 34 (19), 1462 , 2023 2023 Citations: 7
Synthesis of SrCoO 3 perovskite as W-based double perovskite and its structural properties M Dhilip, M Manikandan, SR Kumar, V Jayalakshmi, V Anbarasu, ... Journal of Materials Science: Materials in Electronics 30 (4), 4270-4278 , 2019 2019 Citations: 7
Effect of trivalent transition metal ion substitution in multifunctional properties of Dy 2 O 3 system V Anbarasu, M Dhilip, K Saravana Kumar, K Sivakumar Journal of Materials Science: Materials in Electronics 28 (12), 8976-8985 , 2017 2017 Citations: 7
Synthesis, growth, optical, mechanical, thermal, dielectric, and SHG properties of Triethylaminium picrate (TEAP) single crystal for nonlinear optical applications K Elangovan, KE Ingle, R Dhanasekaran, M Mahadevan, M Dhilip Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 308, 123680 , 2024 2024 Citations: 6
Coexistence of two phases in Sr 2 TiFeO 6 double perovskite JS Punitha, M Dhilip, V Anbarasu, A Nataraj, KS Kumar AIP Conference Proceedings 2117 (1), 020010 , 2019 2019 Citations: 6
Tailoring structural, optical, and electrochemical properties of Mn-doped SnS nanoparticles via a facile Co-precipitation route V Arumugam, P Elaiyaraja, M Dhilip, I Devadoss, A Krishnamoorthy, ... Materials Science in Semiconductor Processing 205, 110374 , 2026 2026 Citations: 1
Exploring Photoluminescence Properties of Fe-Doped Dy 2 O 3 for Enhanced Optoelectronics device Performance M Dhilip, RK Raji, KS Kumar, V Anbarasu 2025 IEEE 7th International Conference on Emerging Electronics (ICEE), 1-3 , 2025 2025 Citations: 1
