First-principles study of magnetic, electronic, elastic and thermal properties of GdFe 2

The magnetic, electronic, elastic and thermal properties of GdFe 2 have been 
investigated under ambient and hydrostatic pressure, in the pressure range 0–100 GPa 
using the Full Potential Nonorthogonal Local-Orbital minimum basis method (FPLO) within 
the generalized gradient approximation (GGA) and the local spin density approximation 
(LSDA). We have calculated the lattice constant, bulk modulus and its first pressure 
derivative.