Abstract
Results of ab initio electronic structure calculations on the compound MgB2 using the FPLAPW method employing GGA for the exchange-correlation energy are presented. Total energy minimization enables us to estimate the equilibrium volume, c/a ratio and the bulk modulus, all of which are in excellent agreement with experiment. We obtain the mass enhancement parameter by using our calculated D (E F) and the experimental specific heat data. The T c is found to be 24.7 K.
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Modak, P., Rao, R.S., Godwal, B.K. et al. Electronic structure of MgB2 . Pramana - J Phys 58, 881–884 (2002). https://doi.org/10.1007/s12043-002-0187-0
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DOI: https://doi.org/10.1007/s12043-002-0187-0