Electron struct of transition metal impurities in titanium and zirconium

V. P. Antropov, V. I. Anisimov, M. I. Katsnel'son, A. I. Likhtenshteyn, A. V. Trefilov

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

In this paper we calculate the electron structure of 3d-transition metal impurities in bcc (β) and hcp (α) phases of Ti and Zr, and also 4d-transition metals in α- and β-phases of Zr, using the self consistent LMTO methods of Greens functions. In complete agreements with experiment, calculations of the energy difference of the impurities in the two phases show that all the impurities mentioned are β-stabilizers. The discussion concerns the relation between these results and the previous model of the multi-electron nature of anomalies in the properties of titanium and zirconium alloys.

Original languageEnglish
Pages (from-to)9-17
Number of pages9
JournalPhysics of Metals and Metallography
Volume68
Issue number5
Publication statusPublished - 1989
Externally publishedYes

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