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• W41048696 abstract "Publisher Summary This chapter presents the electronic structure calculation for the metastable Fe3B alloy. The electronic structure has been calculated for various clusters and some simple crystalline structures. Experimentally, it has been studied by means of various methods such as XPS, Compton scattering, and Mossbauer effect. Detailed X-ray analysis indicates that it is predominantly tetragonal. Thorhombic phase may also be present. The analysis of the Mossbauer spectrum shows that three distinct internal magnetic fields are present, which can be explained by the body-centered tetragonal Fe3 P-type structure. The chapter describes a calculation in which electronic structure of the Fe3B in both tetragonal and orthorhombic structures and also two simple structures similar to bcc and fcc structures are calculated. The body-centered tetragonal Fe3 B has a 22 large unit cell with 32 atoms. There are three inequivalent iron atoms, but every boron atom has the same environment. The chapter highlights the electronic structure calculations for Fe3B in several crystalline structures. It is found that the electronic structure is not sensitive to minor changes in the atomic positions. A comparison of the electronic densities of states and magnetic moments of different crystal structures shows that the electronic structure depends strongly on the local order." @default.
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• W41048696 date "1985-01-01" @default.
• W41048696 modified "2023-09-24" @default.
• W41048696 title "ELECTRONIC STRUCTURE CALCULATION FOR THE METASTABLE Fe3B ALLOY" @default.
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• W41048696 doi "https://doi.org/10.1016/b978-0-444-86939-5.50244-x" @default.
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