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[1] 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.

[2] 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.

[3] 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.

[4] 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.

[5] 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.

[6] 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.

[7] 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.

[8] 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.

[9] 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.

[10] 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.

[11] 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.

[12] 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.

[13] 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.

[14] 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.

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

[16] 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.

[17] 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.

[18] 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.

[19] 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.

[20] 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

[21] 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.

[22] 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.

[23] 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.

[24] 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.

[25] 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.

[26] 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.

[27] 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,

[29] 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.

[30] 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.

[31] 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.

[32] 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.

[33] 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.

[34] 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.

[35] 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.

[36] 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.

[37] 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.

[38] 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.

[39] 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.

[40] 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.

[41] 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.

[42] 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.

[43] 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.

[44] 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.

[45] 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.

[46] 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.

[47] 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.

[48] 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.

[49] 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.

[50] 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.

[51] 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.

[52] 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.

[53] 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.

[54] 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.

[55] 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.

Our work


ML assisted Materials Discovery

Pollution Mitigation using Oxides Surfaces

Novel perovskites for Radiation Dosimetry

Nano Drug delivery systems

Ethnopharmacology

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