Browsing by Author "Saxena, S."

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    • Ab initio study of Ti3Si0.5Ge0.5C2 under pressure 
      Orellana, W.; Gutiérrez, G.; Menéndez Proupin, Eduardo; Rogan Castillo, José; García, G.; Manoun, B.; Saxena, S. (PERGAMON-ELSEVIER SCIENCE LTD, 2006-09)
      Structural and electronic properties of Ti3Si0.5Ge0.5C2 under pressure up to 80 GPa are studied by means of first principles calculation based on density functional theory (DFT). The total energy, lattice parameters and ...