화학공학소재연구정보센터
Materials Chemistry and Physics, Vol.91, No.1, 17-20, 2005
Pressure effect on elastic constants of some transition metals
We study the effect of pressure on the structural and mechanical properties of Pt, Ni and Pd using a first-principle pseudopotential method within the gradient correct approximation of the density functional theory. Our results concerning the effect of pressure on equilibrium volume, elastic constants and bulk modulus were compared with other theoretical calculations and experimental data and are in reasonable agreement. (C) 2004 Elsevier B.V. All rights reserved.