Cover Feature: Compositional Effects and Electron Lone-pair Distortions in Doped Bournonites (ChemPhysChem 20/2018)
نویسندگان
چکیده
منابع مشابه
Lone pair effect, structural distortions, and potential for superconductivity in Tl perovskites.
Drawing the analogy to BaBiO3, we investigate via ab initio electronic structure calculations potential new superconductors of the type ATlX3 with A = Rb and Cs and X = F, Cl, and Br, with a particular emphasis on RbTlCl3. On the basis of chemical reasoning, supported by the calculations, we show that Tl-based perovskites have structural and charge instabilities driven by the lone pair effect, ...
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ژورنال
عنوان ژورنال: ChemPhysChem
سال: 2018
ISSN: 1439-4235
DOI: 10.1002/cphc.201800844