Electronic structure and structural stability of LaAl2 and LaAl3—A comparative study

@inproceedings{Kathirvel2009ElectronicSA,
  title={Electronic structure and structural stability of LaAl2 and LaAl3—A comparative study},
  author={Vignesh Kathirvel and Santanu Chandra and N. V. Chandra Shekar and Pushpkant Sahu},
  year={2009}
}
Abstract The large structural stability regime of LaAl 2 and LaAl 3 as a function of pressure is investigated by the band structure calculations using the FP-LAPW method. An earlier experimental study has revealed that there is no structural phase transition at ∼35 and ∼30 GPa for LaAl 2 and LaAl 3 , respectively. Our calculations indicate that in the density of states curve of LaAl 2 , the Fermi level ( E F ) lies in a slope between bonding maxima and antibonding minima. At high pressures the… CONTINUE READING

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