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LATEST PUBLICATIONS

[63] Alloffy Mary A, Vidya Ravindran, “Novel perovskite semiconductors for radiation detection and dosimetry applications,” Bulletin of Materials Science, Manuscript id: BOMS-D-24-01343R1, Accepted on 23/09/2025.

[62] Madhesh Palanisamy, Gayathri Krishnamoorthy, and Vidya Ravindran “Deciphering Synergistic Interactions between Curcumin, Piperine, and Milk Proteins Using Accurate Theoretical Methods.” Computational Biology and Chemistry 120, (2026): 108672, 2025. https://doi.org/10.1016/j.compbiolchem.2025.108672

[61] Muthukrishnan, S., R. Vidya, and Anja O. Sjåstad. “Nb2O5 and Nb10 Nanocluster Supported by TiO2 Rutile (110) Surfaces: A Co-catalyst for the Enhanced Reduction of NO Molecules by First Principle Study” Journal of Physics and Chemistry of Solids 208, (2025): 113040, 2025. https://doi.org/10.1016/j.jpcs.2025.113040.

[60] S. Muthukrishnan, R. Vidya, and A. O. Sjåstad, “Exploring the Electronic Structure and Interfacial Phenomena of Pseudomorphic Rutile ( 110 ) Heterostructures : An Ab Initio Study,” no. 110, 2025, doi: https://doi.org/10.1021/acsaenm.5c00313

[59] S. Muthukrishnan, R. Vidya, and A. O. Sjåstad, “Illustrating the surface chemistry of nitrogen oxides (NOx) adsorbed on rutile TiO2 (110) with the aid of STM and AIMD simulation, Catalysis Science and Technology,” 3.2025, Doi: https://doi.org/10.1039/D4CY01310G

[58] X. Cheng, S. Muthukrishnan, H. Mi, S. Deng, R. Vidya, and A. Stroppa, “Mixed Organic Cation in Chiral Two-Dimensional Organic − Inorganic Hybrid Metal Halides An Ab Initio Study of Nonlinear Optical ( NLO ) Properties,” 2024, doi: https://doi.org/10.1021/acs.jpcc.4c02520

[57] K. Gayathri, R. Vidya “Carbon nano materials as carriers for the Anti cancer drug Doxorubicin A review on theoretical and experimental studies, Cover, Nanoscale Advances” Nanoscale Advances 2024

[56] S. Muthukrishnan, R. Vidya, and A. O. Sjåstad, “Band gap engineering of anatase TiO2 by ambipolar doping: A first principles study,” Mater. Chem. Phys., vol. 299, no. November 2022, p. 127467, 2023, doi: 10.1016/j.matchemphys.2023.127467.

[55] Alloffy Mary, R. Vidya “Exploring Crystal and Electronic Structures of A2 BIO6 (A = Ba, Sr, Ca; B = Ag, Na, Au) Double Perovskite Oxides for Radiation Detection” November 25, 2022, http://www.journalrcr.org

[54] P. D. Sreedevi, R. Vidya, and P. Ravindran, “Antiperovskite materials as promising candidates for efficient tandem photovoltaics: First-principles investigation,” Mater. Sci. Semicond. Process., vol. 147, no. February, p. 106727, 2022, doi: 10.1016/j.mssp.2022.106727.

[53] D. Bharath Raja, R. Vidya, and K. Shanmuga Sundaram, “Electronic, structural, and optical properties of Cs2SnGeX6 (X = I, Br, Cl) and mixed halides for solar cell applications,” Sol. Energy, vol. 245, no. July, pp. 353–364, 2022, doi: 10.1016/j.solener.2022.09.024.

[52] T. Premkumar, R. Vidya, and H. Fjellvåg,“Stabilizing p-type conductivity in CuYO2 by co- doping: A first-principles study,” Mater. Chem. Phys., vol. 285, no. October 2021, p. 126101, 2022, doi: 10.1016/j.matchemphys.2022.126101.

[51] R. M. Jebasty, A. O. Sjåstad, and R. Vidya, “Prediction of intermediate band in Ti/V doped γ- In2S3,” RSC Adv., vol. 12, no. 3, pp. 1331–1340, 2022, doi: 10.1039/d0ra08132a.

[50] D. Bharath Raja, K. Shanmuga Sundaram, and R. Vidya, “First principle study on hybrid organic-inorganic perovskite ASnBr3 (A = Formamidinium, Dimethylammonium and Azetidinium),” Sol. Energy, vol. 207, no. September 2019, pp. 1348–1355, 2020, doi: 10.1016/j.solener.2020.07.044.

[49] R. M. Jebasty and R. Vidya, “Elucidating reaction equations of TiFx (x = 4,3,2) catalysts for hydrogen storage applications,” Int. J. Hydrogen Energy, vol. 45, no. 4, pp. 2818–2828, 2020, doi: 10.1016/j.ijhydene.2019.11.187.

[48] P. D. Sreedevi, R. Vidya, and P. Ravindran, “Earth-abundant nontoxic direct band gap semiconductors for photovoltaic applications by ab-initio simulations,” Sol. Energy, vol. 190, no. August, pp. 350–360, 2019, doi: 10.1016/j.solener.2019.08.011.

[47] L. Patra, R. Vidya, H. Fjellvåg, and P. Ravindran, “Giant Magnetoelectric Coupling in Multiferroic PbTi1-xVxO3 from Density Functional Calculations,” ACS Omega, vol. 4, no. 16, pp. 16743–16755, 2019, doi: 10.1021/acsomega.9b01176.

[46] R. M. Jebasty and R. Vidya, “Mechanical Properties of Multifunctional TiF4 from First- Principles Calculations,” ACS Biomater. Sci. Eng., vol. 5, no. 4, pp. 2001–2012, 2019, doi: 10.1021/acsbiomaterials.8b01391.

[45] T. Premkumar and R. Vidya,"Crystal and electronic structure studies on transparent conducting nitrides A3N2 (A = Mg, Zn and Sn) and Sn3N4" ,Materials Research Express, 6, 055912.

[44] P. D. Sreedevi, P. Ravindran, and R. Vidya, “First principles prediction of the ground state crystal structures of antiperovskite compounds A3PN (A= Be, Mg, Ca, Sr, Ba and Zn),” Mater. Today Proc., vol. 8, pp. 294–300, 2019, doi: 10.1016/j.matpr.2019.02.114.

[43] R. Mariyal Jebasty and R. Vidya, "Calculation of elastic properties of titanium fluoride compounds— a dft study, vol. 215. Springer International Publishing, 2019. doi: 10.1007/978- 3-319-97604-4_180.

[42] T. Premkumar, J. Mani, G. Anbalagan, and R. Vidya, “Electronic structure properties of ate and a2te (A: Cu, ag and cd),” Springer Proc. Phys., vol. 215, pp. 1151–1157, 2019, doi: 10.1007/978-3-319-97604-4_176.

[41] R. Vidya and G. Baskaran, “Valence bond order and antiferromagnetism in silicene-ab initio results,” arXiv, pp. 2–6, 2017.

[40] L. Patra, M. R. A. Kishore, R. Vidya, A. O. Sjåstad, H. Fjellvåg, and P. Ravindran, “Electronic and magnetic structures of hole doped trilayer La4-xSrxNi3O8 from first-principles calculations,” Inorg. Chem., vol. 55, no. 22, pp. 11898–11907, 2016, doi: 10.1021/acs.inorgchem.6b01938.

[39] M. R. A. Kishore et al., “Theoretical and experimental investigation on structural, electronic and magnetic properties of layered Mn5O8,” Phys. Chem. Chem. Phys., vol. 18, no. 40, pp. 27885–27896, 2016, doi: 10.1039/c6cp04170a.

[38] P. Manimuthu, R. Vidya, P. Ravindran, H. Fjellvåg, and C. Venkateswaran, “Observation of direct magneto-dielectric behaviour in Lu3Fe5O12-δ above room-temperature,” Phys. Chem. Chem. Phys., vol. 17, no. 27, pp. 17688–17698, 2015, doi: 10.1039/c5cp02719e.

[37] M. F. Iozzi, P. Vajeeston, R. Vidya, P. Ravindran, and H. Fjellvåg, “Structural and electronic properties of transparent conducting delafossite: A comparison between the AgBO2 and CuBO2 families (B = Al, Ga, in and Sc, Y),” RSC Adv., vol. 5, no. 2, pp. 1366–1377, 2015, doi: 10.1039/c3ra47531j.

[36] R. Vidya, P. Ravindran, and H. Fjellvåg, “Understanding H-defect complexes in ZnO,” pp. 1–5, 2013, [Online]. Available: http://arxiv.org/abs/1309.5217

[35] R. Vidya, P. Ravindran, and H. Fjellvg, “Ab-initio studies on Li doping, Li-pairs, and complexes between Li and intrinsic defects in ZnO,” J. Appl. Phys., vol. 111, no. 12, 2012, doi: 10.1063/1.4729774.

[34] R. Vidya et al., “Energetics of intrinsic defects and their complexes in ZnO investigated by density functional calculations,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 83, no. 4, 2011, doi: 10.1103/PhysRevB.83.045206.

[33] O. B. Karlsen, A. Kjekshus, H. Fjellvåg, P. Ravindran, R. Vidya, and B. C. Hauback, “Structure and magnetism of the β-Mn-Co solid-solution phase,” J. Alloys Compd., vol. 476, no. 1–2, pp. 9–13, 2009, doi: 10.1016/j.jallcom.2008.09.011.

[32] R. Vidya, P. Ravindran, K. Knizek, A. Kjekshus, and H. Fjellvåg, “Density functional theory studies of spin, charge, and orbital ordering in YBaT2O5 (T = Mn, Fe, Co),” Inorg. Chem., vol. 47, no. 15, pp. 6608–6620, 2008, doi: 10.1021/ic702025c.

[31] P. Ravindran, R. Vidya, H. Fjellvåg, and A. Kjekshus, “Reply to "Comment on ‘Spin- and charge-ordering in oxygen-vacancy-ordered mixed-valence Sr4 Fe4 O11’ ",” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 77, no. 13, pp. 9–13, 2008, doi: 10.1103/PhysRevB.77.136402.

[30] P. Ravindran, R. Vidya, H. Fjellvåg, and A. Kjekshus, “Validity of bond-length and Mössbauer parameters to assign oxidation states in multicomponent oxides: Case study of Sr4 Fe4 O11,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 77, no. 13, 2008, doi: 10.1103/PhysRevB.77.134448.

[29] P. Ravindran, R. Vidya, O. Eriksson, and H. Fjellvåg, “Magnetic-instability-induced giant magnetoelectric coupling,” Adv. Mater., vol. 20, no. 7, pp. 1353–1356, 2008, doi: 10.1002/adma.200701889.

[28] P. Ravindran, R. Vidya, and H. Fjellvåg, “Multi-functional materials from density functional calculations”, Proc. Intl. Conf. on Mater. Sci. & Nanotechnology, vol.no: 15, 2008,

[27] R. Vidya, P. Ravindran, A. Kjekshus, and H. Fjellvåg, “Spin, charge, and orbital ordering in RBa Mn2 O5+δ (R=Y, La; 0≤δ≤1) and their dependence on oxygen content and size of the R constituent,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 76, no. 19, pp. 0–14, 2007, doi: 10.1103/PhysRevB.76.195114.

[26] P. Ravindran, R. Vidya, A. Kjekshus, H. Fjellvåg, and O. Eriksson, “Theoretical investigation of magnetoelectric behavior in BiFe O3,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 74, no. 22, 2006, doi: 10.1103/PhysRevB.74.224412.

[25] P. Ravindran, P. Vajeeston, R. Vidya, H. Fjellvåg, and A. Kjekshus, “Modeling of hydrogen storage materials by density-functional calculations,” J. Power Sources, vol. 159, no. 1 SPEC. ISS., pp. 88–99, 2006, doi: 10.1016/j.jpowsour.2006.04.060.

[24] R. Vidya, P. Ravindran, A. Kjekshus, and H. Fjellvåg, “First-principles density-functional calculations on HCr3O 8: An exercise to better understand the ACr3O 8(A = alkali metal) family,” J. Electroceramics, vol. 17, no. 1, pp. 15–20, 2006, doi: 10.1007/s10832-006-9929-6.

[23] R. Vidya, P. Ravindran, H. Fjellvåg, and A. Kjekshus, “Spin- and charge-ordering in oxygen- vacancy-ordered mixed-valence Sr4 Fe4 O11,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 74, no. 5, 2006, doi: 10.1103/PhysRevB.74.054422.

[22] R. Vidya, P. Ravindran, A. Kjekshus, and H. Fjellvåg, “Crystal and electronic structures of Cr3 O8 and Li Cr3 O8: Probable cathode materials in Li batteries,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 73, no. 23, 2006, doi: 10.1103/PhysRevB.73.235113.

[21] R. Vidya, P. Ravindran, A. Kjekshus, and H. Fjellvåg, “Density-functional calculations of the crystal structures and properties of Cs Cr3 O8 and a Cr3 O8 (A=In,Tl,Cu,Ag,Au),” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 73, no. 18, 2006, doi: 10.1103/PhysRevB.73.184101.

[20] R. Vidya, P. Ravindran, P. Vajeeston, H. Fjellvåg, and A. Kjekshus, “Structural stability, electronic structure, and magnetic properties of mixed-valence ACr3O8 phases (A=Na, K, Rb),” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 72, no. 1, 2005, doi: 10.1103/PhysRevB.72.014411.

[19] P. Vajeeston, P. Ravindran, R. Vidya, H. Fjellvåg, A. Kjekshus, and A. Skjeltorp, “Theoretical investigation of hydrides based on CuAl 2 -type materials .,” vol. 217, no. 1, p. 2000, 2007.

[18] P. Vajeeston, P. Ravindran, R. Vidya, A. Kjekshus, and H. Fjellvåg, “Site preference of hydrogen in metal, alloy, and intermetallic frameworks,” Europhys. Lett., vol. 72, no. 4, pp. 569–575, 2005, doi: 10.1209/epl/i2005-10280-2.

[17] R. Vidya, P. Ravindran, P. Vajeeston, H. Fjellvåg, and A. Kjekshus, “Spin, charge, and orbital orderings in oxides with dual-valent transition metal ions,” Ceram. Int., vol. 30, no. 7, pp. 1993–1998, 2004, doi: 10.1016/j.ceramint.2003.12.198.

[16] R. Vidya, P. Ravindran, A. Kjekshus, and H. Fjellvåg, “Huge magneto-optical effects in half- metallic double perovskites,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 70, no. 18, pp. 1–7, 2004, doi: 10.1103/PhysRevB.70.184414.

[15] P. Ravindran, R. Vidya, H. Fjellvåg, and A. Kjekshus, “Electronic structure and excited-state properties of perovskite-like oxides,” J. Cryst. Growth, vol. 268, no. 3-4 SPEC. ISS., pp. 554–559, 2004, doi: 10.1016/j.jcrysgro.2004.04.090.

[14] P Vajeeston, P Ravindran, R Vidya, H Fjellvåg, A Kjekshus, Design of potential hydrogen- storage materials using first-principle density-functional calculations, 2004, Crystal growth & design,vol.no:4, issue no:3, pg.no: 471-477, doi: https://doi.org/10.1021/cg0342260.

[13] R. Vidya, P. Ravindran, P. Vajeeston, A. Kjekshus, and H. Fjellvåg, “Effect of oxygen stoichiometry on spin, charge, and orbital ordering in manganites,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 69, no. 9, pp. 3–6, 2004, doi: 10.1103/PhysRevB.69.092405.

[12] R. Vidya, P. Ravindran, A. Kjekshus, H. Fjellvåg, and B. C. Hauback, “Magnetic properties of Ca-doped SrRuO3 from full-potential calculations,” J. Solid State Chem., vol. 177, no. 1, pp. 146–158, 2004, doi: 10.1016/S0022-4596(03)00386-4.

[11] P. Ravindran, R. Vidya, P. Vajeeston, A. Kjekshus, and H. Fjellvåg, “Ground- and excited-state properties of inorganic solids from full-potential density-functional calculations,” J. Solid State Chem., vol. 176, no. 2, pp. 338–374, 2003, doi: 10.1016/S0022-4596(03)00215-9.

[10] P. Vajeeston, P. Ravindran, R. Vidya, H. Fjellvåg, and A. Kjekshus, “Huge-pressure-induced volume collapse in LiAlH4 and its implications to hydrogen storage,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 68, no. 21, 2003, doi: 10.1103/PhysRevB.68.212101.

[9] R. Vidya, P. Ravindran, H. Fjellvåg, A. Kjekshus, and O. Eriksson, “Tailor-made electronic and magnetic properties in one-dimensional pure and y-substituted Ca_ {3} Co_ {2} O_ {6},” Phys. Rev. Lett., vol. 91, no. 18, 2003, doi: 10.1103/PhysRevLett.91.186404.

[8] P. Vajeeston, P. Ravindran, R. Vidya, H. Fjellvåg, and A. Kjekshus, “Pressure-induced phase of NaAlH4: A potential candidate for hydrogen storage?,” Appl. Phys. Lett., vol. 82, no. 14, pp. 2257–2259, 2003, doi: 10.1063/1.1566086.

[7] P. Vajeeston, P. Ravindran, H. Fjellvåg, R. Vidya, A. Kjekshus, and V. A. Yartys, “Short hydrogen-hydrogen separation in YBaMn_ {2} O_ {5} Ce, Nd),” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 67, no. 1, 2003, doi: 10.1103/PhysRevB.67.014101.

[6] P, Ravindran P, Vidya R, Fjellvag H, Kjekshus A. Structure, structural phase transitions, mechanical properties, defects, etc.-Huge-pressure-induced volume collapse in LiAlH4 and its implications to hydrogen storage. Physical Review-Section B-Condensed Matter. 2003;68(21):212101.

[5] P. Ravindran, R. Vidya, P. Vajeeston, A. Kjekshus, H. Fjellvåg, and B. C. Hauback, “Antiferromagnetic vs. ferromagnetic interactions and spin-glass-like behavior in ruthenates,” Solid State Commun., vol. 124, no. 8, pp. 293–298, 2002, doi: 10.1016/S0038-1098(02)00472- 6.

[4] P. Ravindran, P. Vajeeston, R. Vidya, A. Kjekshus, and H. Fjellvåg, “Violation of the Minimum H-H Separation ‘Rule’ for Metal Hydrides,” Phys. Rev. Lett., vol. 89, no. 10, pp. 1–5, 2002, doi: 10.1103/PhysRevLett.89.106403.

[3] R. Vidya, P. Ravindran, A. Kjekshus, and H. Fjellvåg, “Spin, charge, and orbital ordering in the ferrimagnetic insulator YBaMn_ {2} O_ {5}.,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 65, no. 14, pp. 1–13, 2002, doi: 10.1103/PhysRevB.65.144422.

[2] P. Vajeeston, R. Vidya, P. Ravindran, H. Fjellvåg, A. Kjekshus, and A. Skjeltorp, “Electronic structure, phase stability, and chemical bonding inin Th2Al  and Th2AlH4.,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 65, no. 7, pp. 1–10, 2002, doi: 10.1103/PhysRevB.65.075101.

[1] P. Ravindran, P. Vajeeston, R. Vidya, A. Kjekshus, and H. Fjellvåg, “Detailed electronic structure studies on superconducting MgB_ {2} and related compounds,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 64, no. 22, 2001, doi: 10.1103/PhysRevB.64.224509.

Book Published

[1] R. Vidya “Theoretical Investigations on Mixed-valence Transition-metal Oxides” Published by Unipub As, Norway. ISSN 1501-7710, No. 485 (235 pages)..

Book Chapter

[1] R. Vidya, and H. Fjellvåg Computational Modelling of Materials with Defects” in Computational Chemistry Methodology in Structural Biology and MaterialSciences ", Apple Academic Press (USA and Canada) and distributed by Taylor &  Francis group (2014).

[2] R. Vidya“Journey of a woman in Science” in Contributions Of Women In Arenas Of Life, To be published by Mother Teresa University, Kodaikanal (2014).

Book Edited

[1] 1.Proceedings of the “International Conference on Advances in Functional Materials (ICAFM2017) , ISBN: 978-93-80366-35-7.

General Articles

[1] “Science in India Past, Present and Future by Dr.R.Vidya” .

[2] “Thirukkural Globale perspektiver in Norwegian” .

[3]“அறிவியல் பாதையில் ஒரு தமிழ்ப்பெண்ணின்பயணம்-முனைவர்_இர.வித்யா” .

[4]“கருப்பையின் செயல்பாட்டை விளக்கும் கணிதக் கோட்பாடு முனைவர் - இர.வித்யா” .

[5]“வெண்ணொளிக்கு கிடைத்த வெற்றி முனைவர் - இர.வித்யா” .