C-mAIn@annauniv.edu

044-22359938

[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.

Sir CV Raman Block , Anna University.

C-mAIn@annauniv.edu

044-22359938

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