  The structural, electronic, mechanical and thermal properties of
Ir$_{1-x}$Rh$_{x}$ alloys were studied systematically using ab initio density
functional theory at different concentrations (x = 0.00, 0.25, 0.50, 0.75,
1.00). A Special Quasirandom Structure method was used to make alloys having
FCC structure with four atoms per unit cell. The ground state properties such
as lattice constant and bulk modulus were calculated to find the equilibrium
atomic position for stable alloys. The calculated ground state properties are
in good agreement with the experimental and previously presented other
theoretical data. The electronic band structure and density of states were
calculated to study the electronic properties for these alloys at different
concentrations. The electronic properties substantiate the metallic behavior of
alloys. The first principle density functional perturbation theory as
implemented in quasiharmonic approximation was used for the calculation of
thermal properties. We have calculated the thermal properties such as Debye
temperatures, vibration energy, entropy, constant-volume specific heat and
internal energy. The ab initio linear-response method was used to calculate
phonon densities of states.
