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  1. 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)

  2. 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)