$3d$-electrons contribution to cohesive energy of $3d$-metals

Abstract

In this paper a model for $3d$-subsystem of transition $3d$-metals has been proposed and used for calculation of the cohesive energy dependent on $3d$-band filling of particular metal, its bandwidth and effective intra-atomic interaction value. It has been shown that the model enables one to explain the observed peculiarities of cohesive energy effect on the atomic number. The nature of two parabolic dependencies of cohesive energy on $3d$-band filling has been clarified. The calculated values of cohesive energy are close to those experimentally obtained for Sc-Ti-V-Cr-Mn-Fe series.

arXiv comment7 pages, 2 figures, 2 tables

References in corpus (4)

• Electronic Structure, Correlation Effects and Physical Properties of d- and f-Metals and Their Compounds
• Effect of correlated hopping on thermoelectric properties: Exact solutions for the Falicov-Kimball model
• Resonant enhancement of thermoelectric properties by correlated hopping for the Falicov-Kimball model on Bethe lattice
• Phase Diagram of Metal-Insulator Transition in System with Anderson-Hubbard Centers