On the roles of interatomic interactions and coordination numbers on Einstein temperatures of 3D transition metals

Abstract EN

We have investigated the roles of the coordination numbers and interatomic interactions on Einstien temperatures 0e for a number of bee 3d transition metals.

We have employed a few of the popular transition metal pseudopotentials in the Calculations aiming at a comparative survey of the roles of these pseudopotentials on the Einstein temperature; the role of the neighboring atoms on the latter emerges as a by-product of the calculations.