발간논문

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Vol.35, No.7, 926 ~ 933, 1997
Title
Effect of 3-d Transition Alloying Elements on Electronic States of Cobalt
배동수 Dong Su Bae
Abstract
Electronic states of 3-d transition alloying elements in cobalt was calculated using the DV-Xα cluster method in order to obtain useful information for alloy design. The main feature of calculated electron density of states for pure fcc Co was quite similar to the results of band calculation. Two calculated alloying parameters, the bond order(Bo) which is a measure of the covalent bond strength between atoms and the d-orbital energy level(Md) of alloying transition elements, were obtained for a variety of alloying elements M in cobalt. Md changed with the order of elements in the Periodic Table and correlated with the atomic radius and electronegativity of the metal. The ionicity and the Bo of 3-d transition alloying elements were estimated and used to elucidate the nature of the bonds between atoms in the fcc Co. These results will give some guide to design of Co-based alloys for high temperature applications.
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