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Publications

  • Stability of the bulk phase of layered ZnO, Bipul Rakshit and Priya Mahadevan, Phys. Rev. Lett. (Accepted).

  • Strain induced ferromagnetic state in an otherwise nonmagnetic oxide in "Simulation and characterization of Advanced Materials", Kapil Gupta and Priya Mahadevan ( Research signpost) ed Sudhir Kumar.

  • K2O2: The most stable oxide of K, Ashis Kumar Nandy, Priya Mahadevan and D. D. Sarma, Phys. Rev. B 84, 035116 (2011)

  • Size dependence of the bulk modulus of semiconductor nanocrystals from first-principles calculations, R. Cherian, C. Gerard, N.T. Cuong, Priya Mahadevan* and R. Maezono, Phys. Rev. B 82, 235321 (2010)

  • Dependence of magnetism on the GdFeO3 distortion in the t2g system ARuO3 (A=Sr, Ca), S. Middey, Priya Mahadevan* and D.D. Sarma, Phys. Rev. B 83, 014416 (2011).

  • Absence of rippling in graphene under biaxial tensile strain, Bipul Rakshit and Priya Mahadevan*,
    Phys. Rev. B 82, 153407 (2010). Also appeared in Virtual Journal of Nanoscale Science and Technology

  • Size-Dependent Tuning of Mn2+ d-Emission in Mn2+-doped CdS Nanocrystals: Bulk vs. Surface, A. Nag, R. Cherian, Priya Mahadevan, Achanta Venu Gopal, A. Hazarika, A. Mohan, A.S. Vengurlekar and D.D. Sarma,
    Journal Physical Chemistry C, (in press).

  • KO2: Realization of orbital ordering in a p-orbital system, A.K. Nandy, Priya Mahadevan*, P. Sen and D.D. Sarma,
    Phys. Rev. Lett. 105, 056403 (2010).

  • Charge ordering induced ferromagnetic insulator : K2Cr8O16, Priya Mahadevan*, Abhinav Kumar, D. Choudhury and D.D. Sarma,
    Phys. Rev. Lett. 104, 256401 (2010).

  • Origin of enhanced photoluminescence from semiconductor CdSeS nanocrystals, D.D. Sarma, A. Nag, P. Santra, A. Kumar, S. Sapra and Priya Mahadevan,
    Journal of Physical Chemistry Letters, 1 2149 (2010).

  • Evolution of the electronic structure of a ferromagnetic metal - case of SrRuO3, Priya Mahadevan*, F. Aryasetiawan, A. Janotti and T. Sasaki,
    Phys. Rev. B 80, 035106 (2009).

  • In search of a two-dimensional metallic oxide,
    Priya Mahadevan* and Kapil Gupta, in ”Functional Metal Oxide Nanostructures”, (Springer-Verlag) ed. J.Wu, W. Han, H. Kim, A. Janotti and J. Cao.

  • Role of Coulomb interactions in semi-core Ga d levels of GaX semiconductors: Implication on band offsets, R. Cherian, Priya Mahadevan* and C. Persson,
    Solid State Comm 149, 1810 (2009).

  • Metal-insulator transition of NaxWO3 studied by angle resolved photoemission spectroscopy,S. Raj, T. Sato, T. Takahashi, D.D. Sarma and Priya Mahadevan,
    Modern Physics Letters B 23, 2819 (2009).

  • Trends in Ferromagnetism in Mn doped dilute III-V alloys from a density functional perspective, Roby Cherian, Priya Mahadevan* and Clas Persson,
    Phys. Rev. B 79, 195211 (2009).

  • Strain driven magnetism in thin films of LaCoO3, Kapil Gupta and Priya Mahadevan*,
    Phys. Rev B 79, 020406 (2009).

  • Three-dimensional band structure of highly metallic Na0.8WO3 by angle-resolved photoemission spectroscopy, S. Raj, A. Chakraborty, D. Choudhury, T. Sato, T. Takahashi, Priya Mahadevan, J. Fujii, I. Vobornik and D.D. Sarma,
    Phys. Rev. B 79, 035119 (2009).

  • Pressure effects on the magnetic transition temperature in ordered double perovskites, D. DiCastro, P. Dore, R. Khasanov, Priya Mahadevan, S. Ray, D.D. Sarma and P. Postorino,
    Phys. Rev. B 78, 184416 (2008).

  • Effects of non-stoichiometry on the lattice constant of semiconductor nanocrystals: CdSe and GaAs, Roby Cherian and Priya Mahadevan*,
    Journal of Nanoscience and Nanotechnology 9, 5564 (2009).

  • Effects of quantum confinement on the conduction band minimum of semiconductors, Roby Cherian, Abhinav Kumar and Priya Mahadevan*,
    Journal of Nanoscience and Nanotechnology 9, 5673 (2009).

  • Can nano silicon be made optically active, Roby Cherian, Ashis Nandy, Priya Mahadevan* and D.D. Sarma,
    Journal of Nanoscience and Nanotechnology 9, 5673 (2009).

  • Size dependence of lattice constants of semiconductor nanocrystals, Roby Cherian and Priya Mahadevan* ,
    Appl. Phys. Lett. 92, 043130 (2008).

  • High temperature ferromagnetism in single crystal dilute magnetic oxide: A story of intrinsic disorder and magnetism in Fe-doped BaTiO3, Sugata Ray, Priya Mahadevan, Suman Mandal, S. R. Krishnakumar, Carlos Seiti Kuroda, T. Sasaki, Tomoyasu Taniyama, and Mitsuru Itoh,
    Phys. Rev. B 77, 104416 (2008).

  • Theoretical investigation of the spin reorientation transition in epitaxial films of NiO, S.Sen Gupta, Priya Mahadevan* , S. Mandal, S.R. Krishnakumar and D.D. Sarma,
    AIPConference Proceedings 1003, 28 (2008).

  • Validity of a localized spin model for SrRuO3 and CaRuO3, S.Middey, Priya Mahadevan* and D.D. Sarma,
    AIP Conference Proceedings 1003, 148 (2008).

  • Chemical pressure effects on Tc in double perovskite oxides A2FeMoO6 ( A= Ba,Sr), A.K. Nandy, Priya Mahadevan* and D.D. Sarma,
    AIP Conference Proceedings 1003, 166 (2008).

  • Electronic structure of Ca2CuO2Cl2, S. Jana, Priya Mahadevan* and D.D. Sarma,
    AIP Conference Proceedings 1003, 175 (2008).

  • 1.Direct evidence for hidden one-dimensional fermi surface of hexagonal K0.25WO3, S. Raj, T. Sato, S. Souma, T. Takahashi, D.D. Sarma, Priya Mahadevan, J.C. Campuzano, M. Greenblatt and W.H. McCarroll,
    Phys. Rev. B 77, 245120 (2008).

  • Bulk and nanoscale GaN: Role of Ga d states, Roby Cherian and Priya Mahadevan*,
    Phys. Rev. B 76, 75205 (2007).

  • Electronic structure of sodium tungsten bronze NaxWO3 from high resolution angle resolved photoemission spectroscopy, S. Raj, H. Matsui, S. Souma, T. Sato, T. Takahashi, S Ray, A. Chakraborty, D. D. Sarma,Priya Mahadevan, S. Oishi, W. H. McCarroll, and M. Greenblatt,
    Phys. Rev. B 75155116 (2007).

  • Modeling ferromagnetism in dilute magnetic semiconductors: Insights from microscopic calculations, Priya Mahadevan*,
    International Journal of Modern Physics B (Special issue on Spintronics) 22, 57 (2008).

  • Metal-insulator transition in sodium tungsten bronzes, NaxWO3, studied by angle-resolved photoemission spectroscopy S. Raj, D. Hashimoto, H. Matsui, S. Souma, T. Sato, T. Takahashi, S. Ray, A. Chakraborty, D. D. Sarma, Priya Mahadevan, S. Oishi, W. H. McCarroll, M. Greenblatt,
    Journal of Magnetism and Magnetic Materials 310, E231 (2007).

  • Elastic properties of Carbon Nanotubes: An atomistic approach, Roby Cherian and Priya Mahadevan*,
    Journal of Nanoscience and Nanotechnology 7, 1779 (2007).

  • Suitability of p-type conditions for ferromagnetism in GaN:Mn, Priya Mahadevan* and S. Mahalakshmi,
    Phys. Rev. B 73, 153201 (2006).

  • Angle resolved photoemission spectroscopy of the insulating NaxWO3: Anderson localization, polaron formation and remnant fermi surface, S. Raj, D. Hashimoto, H. Matsui, S. Souma, T. Sato, T. Takahashi, D. D. Sarma, Priya Mahadevan, and S. Oishi,
    Phys. Rev. Lett. 96, 147603 (2006).

  • Understanding the bulk electronic structure of Ca1−xSrxVO3, K. Maiti, U. Manju, S. Ray, Priya Mahadevan, I.H. Inoue, C. Carbone and D.D. Sarma,
    Phys. Rev B 73, 052508 (2006).

  • Practical rules for orbital-controlled ferromagnetism of 3d impurities in semiconductors, Y.J. Zhao, Priya Mahadevan and Alex Zunger,
    Journal of Applied Physics 98, 113901 (2005).

  • Angle-resolved photoemission spectroscopy of the metallic sodium tungsten bronzes NaxWO3, S. Raj, D. Hashimoto, H. Matsui, S. Souma, T. Takahashi, S. Ray, A. Chakraborty, D.D. Sarma, PriyaMahadevan,W.H. McCarroll and M. Greenblatt,
    Phys. Rev B 72, 125125 (2005).

  • Clustering in dilute magnetic semiconductors: origin and consequences, Priya Mahadevan*, J.M Osorio-Guillen and Alex Zunger,
    Appl. Phys. Lett. 86, 172504 (2005).

  • Unusual direction dependence of exchange energies in GaAs:Mn - Is the RKKY description relevant, Priya Mahadevan*, Alex Zunger and D.D. Sarma,
    Phys. Rev. Lett. 93, 177201 (2004). See Nature News and Views 442, 359 (2006).

  • Trends in ferromagnetism, hole localization and acceptor level depth for Mn substitution in GaN, GaP, GaAs and GaSb, Priya Mahadevan* and Alex Zunger,
    Appl. Phys. Lett. 85, 2860 (2004). Also featured article on the cover, Oct 4th 2004 issue.

  • First principles investigation of the assumptions underlyingModel Hamiltonian approaches to ferromagnetism of 3d impurities in GaAs, Priya Mahadevan* and Alex Zunger,
    Phys. Rev. B 69, 115211 (2004).

  • Comparison of the predicted ferromagnetic tendencies of Mn substituting Ga site in III-V and I-III-VI2 chalcopyrite semiconductors, Y.J. Zhao, Priya Mahadevan and Alex Zunger,
    Appl. Phys. Lett. 84, 3753 (2004).

  • Ferromagnetism in Mn doped GaAs due to substitutional-interstitial complexes, Priya Mahadevan* and Alex Zunger,
    Phys. Rev. B 68, 075202 (2003).

  • Strong correlation effects in the electronic structure of Sr2FeMoO6, Sugata Ray, Priya Mahadevan, Ashwani Kumar, D.D. Sarma, R. Cimino, M. Pedio, L. Ferrari and A. Pesci,
    Phys. Rev. B 67, 085109 (2003).

  • Origin of room-temperature ferromagnetism in Mn doped semiconducting CdGeP2, Priya Mahadevan* and Alex Zunger,
    Phys. Rev. Lett. 88, 047205 (2002).

  • Study of valence and covalence as well as spin states of late transition metal oxides by x- ray absorption spectroscopy, Z. Hu, Priya Mahadevan, D. D. Sarma, G. Kaindl and L. T. Tjeng,
    in Recent Research Developments in Physics, (Transworld Research Network).

  • Difference in spin state and covalence between La1−xSrxCoO3 and La2−xSrxLi0.5Co0.5O4, Z. Hu, C. Grazioli, M. Knupfer, M. S. Golden, J. Fink, Priya Mahadevan, A. Kumar, S. Ray, D. D. Sarma, S. Warda, D. Reinen, S. Kawasaki, M. Takano, C. Schussler- Langeheine, C. Mazumdar and G. Kaindl,
    J. Alloy and Comp. 343, 5 (2002).

  • Spin, charge and orbital ordering in La0.5Sr1.5MnO4, Priya Mahadevan*, K. Terakura and D.D. Sarma, Phys. Rev. Lett. 87, 066404 (2001).

  • Electronic band structure of cadmium chromium chalcogenide spinels: CdCr2S4 and CdCr2Se4, N. Shanthi, PriyaMahadevan and D.D. Sarma,
    Journal of Solid State Chemistry, 155, 198 (2000).

  • Electronic structure of and covalency-driven metal-insulator transition in BaCo1−xNixS2, S.R. Krishnakumar, T. Saha-Dasgupta, N. Shanthi, Priya Mahadevan and D.D. Sarma,
    Phys. Rev. B 63, 045111 (2000).

  • Electronic structure of Sr2FeMoO6, D.D. Sarma, Priya Mahadevan, T-Saha Dasgupta, Sugata Ray and Ashwani Kumar,
    Phys. Rev. Lett. 85, 2549 (2000).

  • Hole distribution between the Ni 3d and O 2p orbitals in NdSrNiO4, Z. Hu, M.S. Golden, J.Fink, G.Kaindl, S.A.Warda, D.Reinen, PriyaMahadevan and D.D.Sarma,
    Phys. Rev. B 61, 3739 (2000).

  • Calculation of x-ray absorption spectra from strongly correlated systems, Priya Mahadevan and D.D.Sarma,
    Phys. Rev. B 61, 7402 (2000).

  • Electronic Structure of NiS1−xSex, S.R. Krishnakumar, N. Shanthi, Priya Mahadevan and D.D. Sarma,
    Phys. Rev. B 61, 16370 (2000).

  • Low-temperature spin dynamics of doped manganites: roles of Mn t2g, Mn eg and O2p states, Priya Mahadevan*, I.V. Solovyev and K. Terakura,
    Phys. Rev. B 60, 11439 (1999).

  • Evolution of electronic structure with dimensionality in divalent nickelates, K. Maiti, Priya Mahadevan and D.D. Sarma,
    Phys. Rev. B 59, 12457 (1999).

  • Metal-insulator transition in a degenerate Hubbard model, Priya Mahadevan and D.D. Sarma,
    Phys. Rev. B 59, 1739 (1999).

  • Evolution of the spectral function in a doped Mott insulator: surface versus bulk contributions, K. Maiti, Priya Mahadevan and D.D. Sarma,
    Phys. Rev. Lett. 80, 2885 (1998).

  • Auger transitions from orbitally degenerate systems: Effects of screening and ultielectron excitations, D.D. Sarma and Priya Mahadevan,
    Phys. Rev. Lett 81, 1658 (1998).

  • Electronic and magnetic transitions in a multiband model for La2NiO4, Priya Mahadevan, K. Sheshadri, D.D. Sarma, H.R. Krishnamurthy and Rahul Pundit,
    Phys. Rev B 55, 9203 (1997).

  • Electronic structure of LaCrO3, LaMnO3 and LaFeO3 from ab-initio spin-polarised calculations, Priya Mahadevan, N. Shanthi and D.D. Sarma,
    J. Phys. Condens. Matter 9, 3129 (1997).

  • Ab-initio approach to electronic excitation spectra in perovskite LaMO3 oxides, D.D. Sarma and Priya Mahadevan,
    in Frontiers in Materials Modelling and Design, Eds. Vijay Kumar, Surajit Sengupta and Baldev Raj (Springer Verlag, Heidelberg), 1997

  • Electronic and magnetic transitions in undoped transition metal compounds, D.D. Sarma and Priya Mahadevan,
    in Condensed Matter Theories, Vol. 12, (Nova Science Publishers, New York), 1997.

  • Electronic excitation spectra from ab-initio band structure results for LaMO3, D.D. Sarma, N. Shanthi and Priya Mahadevan,
    Phys. Rev. B 54, 1622 (1996).

  • Estimates of electronic interaction parameters for LaMO3 compounds (M=Ti-Ni) from ab-initio approaches, Priya Mahadevan, N. Shanthi and D.D. Sarma,
    Phys. Rev B 54, 11199 (1996).

  • Electronic structure and metal–insulator transition in LnNiO3 (Ln=La, Pr, Nd, Sm and Ho), D.D. Sarma, N. Shanthi, S.R.Barman, and Priya Mahadevan,
    in Perspectives in Solid State Chemistry, Ed. K.J. Rao, Narosa - New Delhi 1995, pp. 285.

  • Electronic structure and metal-insulator transition in LnNiO3 (Ln=La, Pr, Nd, Sm and Ho) : Band structure results, D.D. Sarma, N. Shanthi and Priya Mahadevan,
    J. Phys. Condens. Matter 6, 10467 (1994).

  • Electronic structure of 3d transition metal perovskites, LaMO3 from band structure calculations, D.D. Sarma, N. Shanthi and Priya Mahadevan,
    Physica C 235-240, 2115 (1994).
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