The electronic structure of TiB2 has been calculated using the self-consistent LMTO-ASA method. Our results have been compared with experimental and other theoretical work. We find that the pseudo-gap at the Fermi level is the competing effect of Ti 3d resonance and strong hybridization between Ti 3d and B 2p states. The bonding nature of TiB2 is discussed. We have carried out calculations of the equation of state (EOS) Of TiB2; it is found that our first-principles calculated results support the universal model of EOS proposed by Vinet et al. The room-temperature isotherm is also plotted.
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