Electronic structure and stability of new FCC magnesium hydrides Mg7MH16 and Mg6MH16 (M = Ti, V, Nb): An ab initio study

This publication has 27 references indexed in Scilit:

• Stability and bonding mechanism of ternary (Mg, Fe, Ni)H2 hydrides from first principles calculations
  International Journal of Hydrogen Energy, 2009
• Effect of Nb2O5 on MgH2 properties during mechanical milling
  International Journal of Hydrogen Energy, 2007
• Structural stability and pressure-induced phase transitions inMgH2
  Physical Review B, 2006
• Stability and electronic structure of the complex ${\mathrm{K}}_2\mathrm{Pt}{\mathrm{Cl}}_6$-structure hydrides $DM{\mathrm{H}}_6$ ($D=\mathrm{Mg},\mathrm{Ca},\mathrm{Sr};$ $M=\mathrm{Fe},\mathrm{Ru},\mathrm{Os}$)
  Physical Review B, 2004
• Influence of selected alloying elements on the stability of magnesium dihydride for hydrogen storage applications: A first-principles investigation
  Physical Review B, 2004
• Pressure-Induced Structural Transitions inMgH2
  Physical Review Letters, 2002
• Calculation of the electronic and structural properties of cubicMg2NiH4
  Physical Review B, 1999
• Generalized Gradient Approximation Made Simple
  Physical Review Letters, 1996
• Which intermetallic compounds of transition metals form stable hydrides ?
  Journal of the Less Common Metals, 1976
• The electronegativity parameter for transition metals: Heat of formation and charge transfer in alloys
  Journal of the Less Common Metals, 1973