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  1. No Access

    Article

    First-principles investigation of structural, electronic and mechanical properties of some Dysprosium chalcogenides, DyX (X = S, Se and Te)

    The structural, electronic and mechanical properties of heavy rare earth (DyX, X = S, Se and Te) chalcogenide compounds, which crystallize in B1 phase, have been investigated for the first time using FP-LAPW meth...

    S. N. Tripathi, Vipul Srivastava, H. Pawar, S. P. Sanyal in Indian Journal of Physics (2020)

  2. No Access

    Article

    Signature of Ferromagnetic Phase at Low Temperature in Low-Doped La0.88Ca0.12MnO3 Single Crystal

    The confirmation of ferromagnetism at low temperature in a low-doped manganites system is always debatable. It is for the first time, electrical, magnetic, and thermal properties have been measured for mangani...

    Tejas M. Tank, M. Prajapat, D. S. Rana… in Journal of Superconductivity and Novel Mag… (2019)

  3. No Access

    Article

    First Principle Mechanical and Thermodynamic Properties of Some TbX (X = S, Se) Compounds

    The mechanical and thermodynamic results of some terbium chalcogenides, TbX (X = S, Se) compounds have been examined using full-potential linear augmented plane wave (FP-LAPW) method based on density functiona...

    S. N. Tripathi, Vipul Srivastava… in Journal of Superconductivity and Novel Mag… (2019)

  4. No Access

    Article

    Insight into Phase Transition, Electronic, Magnetic, Mechanical, and Thermodynamic Properties of TbTe: a DFT Investigation

    Theoretical investigation on TbTe for its structural, electronic, magnetic, and thermodynamic stuffs has been carried within density functional theory (DFT) as implemented in WIEN2K code. TbTe was found stable...

    S. N. Tripathi, Vipul Srivastava… in Journal of Superconductivity and Novel Mag… (2018)

  5. No Access

    Article

    Comparative study of structural, electronic and elastic behavior of OsAl and OsSi in B2 and B20 phases under pressure

    The structural, electronic, bonding, elastic and mechanical properties of osmium intermetallic OsX (X = Al and Si) compounds in B2-phase as well as in B20-phase have been studied using full-potential linearized a...

    N. Acharya, S. P. Sanyal in Indian Journal of Physics (2017)

  6. No Access

    Article

    Structural, electronic and elastic properties of REIr2 (RE = Sc, Y and La) Laves phase compounds under pressure

    The structural, electronic and elastic properties of REIr2 (RE = Sc, Y and La) type Laves phase compounds in C15 structure have been studied using full-potential linearized augmented plane wave method with genera...

    D. Shrivastava, S. P. Sanyal in Indian Journal of Physics (2017)

  7. No Access

    Article

    Reply to Comment on “Density functional investigation on electronic structure and elastic properties of BeX at high pressure”

    G. Pagare, E. Jain, S. P. Sanyal in Indian Journal of Physics (2016)

  8. No Access

    Article

    Density functional investigation on electronic structure and elastic properties of BeX at high pressure

    We present an ab initio calculations to investigate the structural, electronic and elastic properties of BeX (X = Co, Ni, Cu and Pd) intermetallic compounds using full potential linearized augmented plane wave...

    G. Pagare, E. Jain, S. P. Sanyal in Indian Journal of Physics (2016)

  9. No Access

    Article

    Theoretical study of phase stability, structural, magnetic, mechanical and thermal behavior of gadolinium-based intermetallic compounds in cubic AuCu3 structure

    The phase stability, structural, magnetic, electronic, mechanical and thermal properties of cubic GdX3 (X = In, Sn, Tl and Pb) rare earth intermetallics, which crystallize in AuCu3-type structure, have been inves...

    G. Pagare, J. A. Abraham, S. P. Sanyal in Indian Journal of Physics (2016)

  10. No Access

    Article

    Structural and electronic properties of XSi2 (X = Cr, Mo, and W)

    The structural and electronic properties of metal silicides XSi2 (X = Cr, Mo, and W), which crystallize in tetragonal structure, are investigated systematically using the first-principle density functional theory...

    Mani Shugani, Mahendra Aynyas, S. P. Sanyal in Journal of Experimental and Theoretical Ph… (2015)

  11. No Access

    Article

    First principles study of structural, magnetic and electronic properties of half-metallic CrO2 under pressure

    A first-principles tight-binding linear muffin tin orbital (TB-LMTO) method within the local-density approximation is used to calculate the total energy, lattice parameter, bulk modulus, magnetic moment, den...

    V. Srivastava, M. Rajagopalan, S. P. Sanyal in The European Physical Journal B (2008)

  12. No Access

    Article

    Theoretical study of the transverse acoustic phonons of GaSb at high pressure

    We have investigated the phonon dispersion curves and one-phonon density of states up to the pressure of 8 GPa using a theoretical model, namely the rigid ion model. The transverse acoustic phonons as a functi...

    S. Shinde, M. Talati, Prafulla K. Jha, S. P. Sanyal in Pramana (2004)

  13. No Access

    Article

    Effect of pressure on the phonon properties of europium chalcogenides

    Lattice vibrational properties of europium chalcogenides have been investigated at high pressure by using a simple lattice dynamical model theory viz. the three-body force rigid ion model (TRIM) which includes...

    U. K. Sakalle, P. K. Jha, S. P. Sanyal in Bulletin of Materials Science (2000)

  14. No Access

    Article

    A three-body force shell model calculation of Schottky defect formation energies of ionic crystals with CsCl structure

    A three-body force shell model (TSM) for the calculation of Schottky defect formation energies in solids with cesium chloride structure has been developed by incorporating the effects of long-range three-body ...

    V Mishra, S P Sanyal, R K Singh in Pramana (1987)

  15. No Access

    Article

    A three-body interaction potential for molecular solids

    A three-body interaction (TBI) potential has been proposed to study the static and dynamic properties of molecular solids. This TBI arises from the variable induced dipoles when the neighbouring molecules over...

    S. P. Sanyal, V. Mishra in Il Nuovo Cimento D (1985)

  16. No Access

    Article

    Lattice dynamics of thallous chloride

    An extended three-body force shell model (ETSM) developed by Singh and Gupta has been applied to investigate the role of three-body forces in lattice-dynamical descriptions of thallous chloride. The results on...

    R. K. Singh, H. N. Gupta, S. P. Sanyal in Il Nuovo Cimento B (1971-1996) (1980)