Bond-Length Analysis of the Omega Structure in Ti, Zr, Hf and their alloys: Experimental Data, New Correlations and Implications for Chemical Bonding Models

GRAD, G. B.; BENITES, G.M.; AURELIO, G.; A. FERNÁNDEZ GUILLERMET

Bariloche, Argentina

Conferencia; ICOMAT 98; 1998

An analysis is performed of the experimental information on the key interatomic distances (IDs) of the AlB2 type structure, so-called omega (W) phase in Ti and Zr, as well as in Ti-V and Zr-Nb alloys. Various remarkable correlations are found between these IDs and standard measures of the atomic size, and with Pauling’s bond-lengths. These observations are discussed in the light of the phenomenological bonding pictures of the W structure, and with our recent ab initio calculations of the electronic structure of this phase.