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FIZIKA A 12 (2003) 1 , 23 - 40
 
EQUATION OF STATE, BINDING ENERGIES, BULK MODULUS AND GRÜNEISEN
CONSTANTS OF 3d, 4d AND 5d TRANSITION METALS
J. K. BARIA, P. N. GAJJAR and A. R. JANI
Department of Physics, Sardar Patel University, Vallabh Vidyanagar -
388120, India
E-mail address: jay_baria@yahoo.com
Received 19 February 2002; revised manuscript received 9 May 2003
Accepted 12 May 2003 Online 20 September 2003
A model pseudopotential, depending on an effective core radius but otherwise
parameter-free, is proposed to study the equation of state by incorporating the s-d
hybridization effects. A new criterion for the selection of the exchange and correlation
effects is also put forward. The equations of state for Cu, Ta, Mo, W and Pt have been
studied up to the pressure of 1000 GPa. The binding energy, pressure, bulk modulus and
frequency-independent Grüneisen constant as functions of volume for transition metals are
calculated. The theoretical results are compared with available experimental results. The
successful application to 27 metals has confirmed our formalism.
PACS numbers: 64.30.+t, 71.45.N, 71.15.Hx
UDC 538.95
Keywords: equation of state, binding energy, bulk modulus, frequency-independent
Grüneisen constant, pseudopotential
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