Abstract
These elements have electrons in the 6d subshell; they are radioactive and have only been synthesized in the laboratory. The total energy calculations done for the fcc and bcc lattices predict that the fcc is favored in Rutherfordium, Bohrium, Hessium, Meitnerium, Darmstadtium, and Copernicium, while the bcc structure is favored in Dubnium, Seaborgium and Roentgenium. An interesting characteristic of these materials is that the energy bands and DOS show a strong resemblance to those of the transition metals, while Copernicium is the only one which is not metallic. Three- and two-center orthogonal Slater-Koster parameters are also presented.
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Papaconstantopoulos, D.A. (2015). Transactinides. In: Handbook of the Band Structure of Elemental Solids. Springer, Boston, MA. https://doi.org/10.1007/978-1-4419-8264-3_15
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DOI: https://doi.org/10.1007/978-1-4419-8264-3_15
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Publisher Name: Springer, Boston, MA
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