The Pressure-Volume Relation and Cohesive Properties in Transition Metal Alloys
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概要
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A method to treat the pressure-volume relatioxa in alloys on the basis of thevirial theorem is projaosed, and then the lattice paranaeter, the bulk modulusand the formation energy of the disordered 4d transition metal alloys are calcu-fated. In this calculation, the s-d hybridization is neglc:clod and the d baxad istreated in the single band off-diagonal C.P.A, the s b,and in the free electrortlike rigid bauad model. Assuming the charge raeutrality cc>ndition at each site, it isfoumad that the calctulated lattice parameters, btulk moduli :und formation energies ofNb-Zr alley and Pd-base 4d transition metal alloys :agree with the observecltrerads. Particularly, it is found that the negative deviation froam the Vegard lawzis mainly due to the d part pressure. The origin of this ,attractive pressure lies inthe gain of the Pd-site bond energy due to alloying.
- 社団法人日本物理学会の論文
- 1980-07-15
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