Published 2012
| Version v1
Journal article
Electronic structure peculiarities of the solid solutions of transition metals in Cr
- 1. Taras Shevchenko National University of Kyiv, Kyiv (Ukraine)
Description
Electronic structures of the solid solutions of transition metals (Ti, V, Mn, Fe, Co, Ni, Cu; Nb, Mo; Ta, W) in Cr have been investigated using the LMTO (linear muffin-tin orbital) calculation method. The energy dependences of the density of electronic states have been calculated for the supercell containing 16 atoms. It is shown that the doping with transition metals leads to the splitting of the chromium main 3d-peak into two sub-bands due to the formation of charge density waves. It is proved that the nesting model is not applicable the considered Cr alloys.
Additional details
Additional titles
- Original title (Ukrainian)
- Osoblivostyi elektronnoyi strukturi tverdikh rozchinyiv perekhyidnikh metalyiv u khromyi
Publishing Information
- Journal Title
- Dopovyidyi Natsyional'noyi Akademyiyi Nauk Ukrayini
- Journal Issue
- no.6
- Journal Page Range
- p. 84-88
- ISSN
- 1025-6415
INIS
- Country of Publication
- Ukraine
- Country of Input or Organization
- Ukraine
- INIS RN
- 44085415
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- ATOMS; CHROMIUM ALLOYS; DOPED MATERIALS; ELECTRONIC STRUCTURE; ENERGY DEPENDENCE; MUFFIN-TIN POTENTIAL; SOLID SOLUTIONS; TRANSITION ELEMENTS
- Descriptors DEC
- ALLOYS; DISPERSIONS; ELEMENTS; HOMOGENEOUS MIXTURES; MATERIALS; METALS; MIXTURES; POTENTIALS; SOLUTIONS; TRANSITION ELEMENT ALLOYS