most citedEfficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals

47 citations · 47 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2009★ 47 cited

Efficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals

Prithwish Kumar Nandi, M. C. Valsakumar, Sharat Chandra +2

We calculate properties like equilibrium lattice parameter, bulk modulus and monovacancy formation energy for nickel (Ni), iron (Fe) and chromium (Cr) using Kohn-Sham density funct…

cond-mat.mtrl-sci2004

Rietveld refinement and electron density distribution in CuxV2O5

R. Nithya, Sharat Chandra, G. L. N. Reddy +2

Room temperature powder x-ray diffraction measurements have been carried out on polycrystalline samples of CuxV2O5 with x = 0.33, 0.40, 0.50, 0.55 and 0.60, prepared by solid state…