The study of structure parameters and energy band structures of Ti2InC using perturbation density functional theory method

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Abstract

In this paper we have calculated the Ti2InC structure parameters such as lattice constants, bulk modulus and its derivative, compressibility, density of states and energy band structure. The calculations have been performed using Pseudopotential method in the framework of density functional theory based on PWscf by the Quantum Espresso package. The calculations are in good agreement with other results

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References

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History

  • Receive Date: 04 August 2013
  • Revise Date: 05 September 2013
  • Accept Date: 29 January 2014

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