Electronic structure of MgB2 |
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Authors: | P Modak R S Rao B K Godwal S K Sikka |
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Affiliation: | (1) High Pressure Physics Division, Bhabha Atomic Research Centre, 400 085 Mumbai, India |
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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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Keywords: | Electronic band structure superconductivity |
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