Journal ArticleDOI
Electronic structure of TiFe, TiCo and Ti(FexCo1-x) alloys
G. H. Schadler,Peter Weinberger +1 more
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In this paper, the pseudobinary alloy system Ti(FexCo1-x), including the pure binary phases, was analyzed and it was shown that the magnetic behavior of the pseudo-bipartite system is entirely governed by antistructure atoms.Abstract:
KKR GF and KKR CPA calculations are performed for the pseudobinary alloy system Ti(FexCo1-x), including the pure binary phases. The results indicate that, in accordance with experimental findings, the magnetic behaviour of the pseudobinary system is entirely governed by antistructure atoms.read more
Citations
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Journal ArticleDOI
Electronic structure, chemical bonding and spectral properties of the intermetallic compounds FeTi, CoTi and NiTi
R Eibler,J. Redinger,A Neckel +2 more
TL;DR: In this paper, self-consistent PAW band-structure calculations were performed for B2 FeTi, CoTi and NiTi, and the resulting electron and difference electron densities together with partial local densities of states and band charges were shown to increase distinctly in the series NiTi-CoTi-FeTi.
Book ChapterDOI
Magnetic properties, Mössbauer effect and superconductivity
TL;DR: In this article, the bulk magnetic properties, of M6ssbauer spectroscopy and superconductivity studies on hydrides of intermetallic compounds, predominately of those containing a rare earth metal, are reviewed.
Journal ArticleDOI
Search for correlations of martensitic transition temperature with electronic and crystal structure parameters in TiMe compounds
TL;DR: In this paper, the search for correlations between B2-B19' (B19) martensitic transition start temperature Ms and other parameters was conducted. And the results showed that Ms can be connected with polymorph Ti β → d transition temperature, due to the change of TiTi interaction character via the lattice parameter variation.
Journal ArticleDOI
Comparison of structures and electronic properties between TiCoHx and TiFeHx
J.S. Cantrell,Robert C. Bowman +1 more
TL;DR: In this paper, a comparison between apparently isostructural TiCoHx and TiFeHx materials was made and the proton spin-lattice relaxation times T 1 T − 1 2 were compared.
References
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Journal ArticleDOI
A first-principles theory of ferromagnetic phase transitions in metals
TL;DR: In this paper, a mean-field theory of magnetic phase transitions in metals was developed based on a spin-polarised density functional description of the electrons, and the average of the electronic grand potential averaged over various ensembles of such'spin' configurations.
Journal ArticleDOI
Calculating properties with the coherent-potential approximation
J. S. Faulkner,G. M. Stocks +1 more
TL;DR: In this article, it was shown that the averaged Green's-function formulation of the Bloch spectral density function leads to manifestly unphysical results and that no manipulation of the expression can eliminate this behavior.
Journal ArticleDOI
The modern theory of alloys
TL;DR: In this paper, the structure of the modern theory of alloys is presented and a theoretical framework for dealing with disordered systems other than metallic alloys such as liquids, amorphous solids, semiconductor alloys, etc.
Journal ArticleDOI
Energy Bands in Periodic Lattices—Green's Function Method
Frank S. Ham,B. Segall +1 more
TL;DR: In this article, the mathematical basis of calculations of energy bands in periodic lattices using the Green's function method is presented and the usefulness of the method's usefulness discussed, and the original formulation by Kohn and Rostoker is modified to achieve more efficient and accurate evaluation of "structure constants" using symmetry considerations and the full Ewald summation procedure.
Journal ArticleDOI
Electronic structure of magnetic impurities calculated from first principles
TL;DR: In this paper, the electronic structure of magnetic $3d$ impurities in Cu and Ag is calculated self-consistently from first principles using the Kohn-Korringa-Rostocker Green's-function method.